2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide

C26H21ClN2O3 — CID 1124595

IUPAC2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC(=O)N(c1ccccc1)c1ccccc1)Cc1ccco1
InChIInChI=1S/C26H21ClN2O3/c27-24-16-8-7-15-23(24)26(31)28(18-22-14-9-17-32-22)19-25(30)29(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18-19H2
InChIKeyDNDDSNHZUHMEKA-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.94
Rot. Bonds7

About 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide

2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide (PubChem CID 1124595) has the molecular formula C26H21ClN2O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
PubChem CID1124595
Molecular FormulaC26H21ClN2O3
Molecular Weight444.92 g/mol
Exact Mass444.12
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC(=O)N(c1ccccc1)c1ccccc1)Cc1ccco1
InChIInChI=1S/C26H21ClN2O3/c27-24-16-8-7-15-23(24)26(31)28(18-22-14-9-17-32-22)19-25(30)29(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18-19H2
InChIKeyDNDDSNHZUHMEKA-UHFFFAOYSA-N
XLogP5.94
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4291964
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 1460043
2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 55340134
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 42699590
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 79832071
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178
2-chloro-N-(furan-2-ylmethyl)-5-methylsulfanyl-N-prop-2-ynylbenzamide
CID 52784611
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide (CID 1124595) is 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide is O=C(c1ccccc1Cl)N(CC(=O)N(c1ccccc1)c1ccccc1)Cc1ccco1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide?
The InChIKey is DNDDSNHZUHMEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3/c27-24-16-8-7-15-23(24)26(31)28(18-22-14-9-17-32-22)19-25(30)29(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,18-19H2.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide?
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide has a molecular weight of 444.92 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide is sourced from PubChem (CID 1124595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).