2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

C24H22ClN3O3 — CID 55935022

IUPAC2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESCN(Cc1ccco1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3/c1-28(15-17-7-6-12-31-17)24(30)22(27-23(29)19-9-2-4-10-20(19)25)13-16-14-26-21-11-5-3-8-18(16)21/h2-12,14,22,26H,13,15H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyJOMCAPAJTRVDFM-QFIPXVFZSA-N
MW435.91 g/mol
LogP4.41
Rot. Bonds7

About 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 55935022) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
PubChem CID55935022
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESCN(Cc1ccco1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3/c1-28(15-17-7-6-12-31-17)24(30)22(27-23(29)19-9-2-4-10-20(19)25)13-16-14-26-21-11-5-3-8-18(16)21/h2-12,14,22,26H,13,15H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyJOMCAPAJTRVDFM-QFIPXVFZSA-N
XLogP4.41
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
2-chloro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]benzamide
CID 2099194
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 86951550
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]benzamide
CID 43045761
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 24539135
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
2-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylsulfanylanilino)-1-oxopropan-2-yl]benzamide
CID 46520929
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (CID 55935022) is 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is CN(Cc1ccco1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is JOMCAPAJTRVDFM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-28(15-17-7-6-12-31-17)24(30)22(27-23(29)19-9-2-4-10-20(19)25)13-16-14-26-21-11-5-3-8-18(16)21/h2-12,14,22,26H,13,15H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 435.91 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).