(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate

C25H21ClN2O3 — CID 19003113

IUPAC(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H21ClN2O3/c26-21-12-6-4-10-18(21)16-31-25(30)23(28-24(29)17-8-2-1-3-9-17)14-19-15-27-22-13-7-5-11-20(19)22/h1-13,15,23,27H,14,16H2,(H,28,29)
InChIKeyLTSSKWVSNPFEDQ-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.91
Rot. Bonds7

About (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate

(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate (PubChem CID 19003113) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
PubChem CID19003113
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H21ClN2O3/c26-21-12-6-4-10-18(21)16-31-25(30)23(28-24(29)17-8-2-1-3-9-17)14-19-15-27-22-13-7-5-11-20(19)22/h1-13,15,23,27H,14,16H2,(H,28,29)
InChIKeyLTSSKWVSNPFEDQ-UHFFFAOYSA-N
XLogP4.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
(4-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3406519
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
(4-cyanophenyl)methyl 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 5021294
benzyl (2S)-2-[[4-[2-[(2S)-2-amino-4-phenylbutanoyl]hydrazinyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 155523459
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3515356
[2-(4-methylphenyl)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2105219
[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2385759

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate (CID 19003113) is (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate?
The InChIKey is LTSSKWVSNPFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c26-21-12-6-4-10-18(21)16-31-25(30)23(28-24(29)17-8-2-1-3-9-17)14-19-15-27-22-13-7-5-11-20(19)22/h1-13,15,23,27H,14,16H2,(H,28,29).
What are the key properties of (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate?
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate has a molecular weight of 432.91 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 19003113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).