3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide

C20H20ClN3O2 — CID 50834469

IUPAC3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-10-22-20(26)18-17(15-11-12(2)4-9-16(15)23-18)24-19(25)13-5-7-14(21)8-6-13/h4-9,11,23H,3,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQDXIZZIFGJXEGH-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.52
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide

3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide (PubChem CID 50834469) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
PubChem CID50834469
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-10-22-20(26)18-17(15-11-12(2)4-9-16(15)23-18)24-19(25)13-5-7-14(21)8-6-13/h4-9,11,23H,3,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQDXIZZIFGJXEGH-UHFFFAOYSA-N
XLogP4.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 46391849
3-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 46391875
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
4-fluoro-N-[5-methyl-2-(4-methylpiperidine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391926
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042965
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155550487

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide (CID 50834469) is 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide is CCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide?
The InChIKey is QDXIZZIFGJXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-10-22-20(26)18-17(15-11-12(2)4-9-16(15)23-18)24-19(25)13-5-7-14(21)8-6-13/h4-9,11,23H,3,10H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide?
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 50834469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).