N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one

C103H100IN5O10S — CID 159216301

IUPACN-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one
SMILESCN(Cc1ccccc1)C(=O)Cc1ccccc1.O=C(CCc1ccccc1)c1ccco1.O=C(CCc1ccccc1)c1cccs1.O=C(CCc1ccccc1)c1ccoc1.O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccccc1)NCCc1ccc(O)cc1.O=C(NCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H18N2O.C16H17NO2.C16H17NO.C14H12INO.2C13H12O2.C13H12OS/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17;18-15-8-6-13(7-9-15)10-11-17-16(19)12-14-4-2-1-3-5-14;1-17(13-15-10-6-3-7-11-15)16(18)12-14-8-4-2-5-9-14;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11;14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-9,13,20H,10-12H2,(H,19,21);1-9,18H,10-12H2,(H,17,19);2-11H,12-13H2,1H3;1-9H,10H2,(H,16,17);1-7,10H,8-9H2;1-5,8-10H,6-7H2;1-7,10H,8-9H2
InChIKeyKRCQDJYUOGYHJM-UHFFFAOYSA-N
MW1726.93 g/mol
LogP21.23
Rot. Bonds29

About N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one

N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one (PubChem CID 159216301) has the molecular formula C103H100IN5O10S and a molecular weight of 1726.93 g/mol. Its IUPAC name is N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound NameN-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one
PubChem CID159216301
Molecular FormulaC103H100IN5O10S
Molecular Weight1726.93 g/mol
Exact Mass1725.62
IUPAC NameN-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one
SMILESCN(Cc1ccccc1)C(=O)Cc1ccccc1.O=C(CCc1ccccc1)c1ccco1.O=C(CCc1ccccc1)c1cccs1.O=C(CCc1ccccc1)c1ccoc1.O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccccc1)NCCc1ccc(O)cc1.O=C(NCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H18N2O.C16H17NO2.C16H17NO.C14H12INO.2C13H12O2.C13H12OS/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17;18-15-8-6-13(7-9-15)10-11-17-16(19)12-14-4-2-1-3-5-14;1-17(13-15-10-6-3-7-11-15)16(18)12-14-8-4-2-5-9-14;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11;14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-9,13,20H,10-12H2,(H,19,21);1-9,18H,10-12H2,(H,17,19);2-11H,12-13H2,1H3;1-9H,10H2,(H,16,17);1-7,10H,8-9H2;1-5,8-10H,6-7H2;1-7,10H,8-9H2
InChIKeyKRCQDJYUOGYHJM-UHFFFAOYSA-N
XLogP21.23
TPSA221.12 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.93
LogP ≤ 521.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,36S)-3-(3-amino-3-oxopropyl)-24-[(2S)-butan-2-yl]-21-(furan-2-ylmethyl)-9,33-bis[(4-hydroxyphenyl)methyl]-18,30-bis(1H-indol-3-ylmethyl)-6,7,31-trimethyl-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35-undecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34-undecazabicyclo[34.3.0]nonatriacontane-15-carboxamide
CID 164615881
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,36S)-24-[(2S)-butan-2-yl]-21-(furan-2-ylmethyl)-9,33-bis[(4-hydroxyphenyl)methyl]-18,30-bis(1H-indol-3-ylmethyl)-6,7-dimethyl-3-(3-methylbutyl)-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35-undecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34-undecazabicyclo[34.3.0]nonatriacontane-15-carboxamide
CID 164609900
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,36S)-24-[(2S)-butan-2-yl]-6-butyl-21-(furan-2-ylmethyl)-9,33-bis[(4-hydroxyphenyl)methyl]-18,30-bis(1H-indol-3-ylmethyl)-3-(3-methylbutyl)-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35-undecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34-undecazabicyclo[34.3.0]nonatriacontane-15-carboxamide
CID 164617317
(3S,6S,9S,15R,18S,21R,24S,27S,30S,33S,36S)-3-(3-amino-3-oxopropyl)-24-[(2S)-butan-2-yl]-6-butyl-21-(furan-2-ylmethyl)-9,33-bis[(4-hydroxyphenyl)methyl]-18,30-bis(1H-indol-3-ylmethyl)-10,34-dimethyl-27-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35-undecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34-undecazabicyclo[34.3.0]nonatriacontane-15-carboxamide
CID 164627071
(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 161099735
(3S)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one;(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one;(3S)-3-hydroxy-3-(1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one;(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one;(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-phenacylindol-2-one
CID 161511268
3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one
CID 20101434
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108696508
3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108696536
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one
CID 124357079
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one
CID 124357080

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one (CID 159216301) is N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one is CN(Cc1ccccc1)C(=O)Cc1ccccc1.O=C(CCc1ccccc1)c1ccco1.O=C(CCc1ccccc1)c1cccs1.O=C(CCc1ccccc1)c1ccoc1.O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccccc1)NCCc1ccc(O)cc1.O=C(NCc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is KRCQDJYUOGYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.C16H17NO2.C16H17NO.C14H12INO.2C13H12O2.C13H12OS/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17;18-15-8-6-13(7-9-15)10-11-17-16(19)12-14-4-2-1-3-5-14;1-17(13-15-10-6-3-7-11-15)16(18)12-14-8-4-2-5-9-14;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11;14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11;14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-9,13,20H,10-12H2,(H,19,21);1-9,18H,10-12H2,(H,17,19);2-11H,12-13H2,1H3;1-9H,10H2,(H,16,17);1-7,10H,8-9H2;1-5,8-10H,6-7H2;1-7,10H,8-9H2.
What are the key properties of N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one?
N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 1726.93 g/mol, XLogP of 21.23, 29 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 159216301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).