3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide

C28H23ClN2O3 — CID 83278638

IUPAC3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccc(Cl)cc12)NCc1ccco1
InChIInChI=1S/C28H23ClN2O3/c29-20-11-12-27-25(15-20)26(18-30-27)24(16-28(32)31-17-23-10-5-13-33-23)19-6-4-9-22(14-19)34-21-7-2-1-3-8-21/h1-15,18,24,30H,16-17H2,(H,31,32)
InChIKeyHPOBRQARNWOWHH-UHFFFAOYSA-N
MW470.96 g/mol
LogP7.05
Rot. Bonds8

About 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide

3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 83278638) has the molecular formula C28H23ClN2O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID83278638
Molecular FormulaC28H23ClN2O3
Molecular Weight470.96 g/mol
Exact Mass470.14
IUPAC Name3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccc(Cl)cc12)NCc1ccco1
InChIInChI=1S/C28H23ClN2O3/c29-20-11-12-27-25(15-20)26(18-30-27)24(16-28(32)31-17-23-10-5-13-33-23)19-6-4-9-22(14-19)34-21-7-2-1-3-8-21/h1-15,18,24,30H,16-17H2,(H,31,32)
InChIKeyHPOBRQARNWOWHH-UHFFFAOYSA-N
XLogP7.05
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 4006072
3-[3-(4-chlorophenoxy)phenyl]-3-(5-nitro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 83290070
(3S)-3-[3-(4-chlorophenoxy)phenyl]-N-(2-morpholin-4-ylethyl)-3-(5-nitro-1H-indol-3-yl)propanamide
CID 98444535
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
3-(5-chloro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-phenylpropanamide
CID 42808765
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide
CID 97266165
(3S)-N-(furan-2-ylmethyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-methoxy-1H-indol-3-yl)propanamide
CID 97046148
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide (CID 83278638) is 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide is O=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccc(Cl)cc12)NCc1ccco1.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is HPOBRQARNWOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O3/c29-20-11-12-27-25(15-20)26(18-30-27)24(16-28(32)31-17-23-10-5-13-33-23)19-6-4-9-22(14-19)34-21-7-2-1-3-8-21/h1-15,18,24,30H,16-17H2,(H,31,32).
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 470.96 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 83278638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).