2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide

C25H22ClN3O4 — CID 100818597

IUPAC2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide
SMILESCOc1ccc(C(=O)n2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)cc1OC
InChIInChI=1S/C25H22ClN3O4/c1-14-8-10-16(26)13-18(14)28-24(30)22-17-6-4-5-7-19(17)29(23(22)27)25(31)15-9-11-20(32-2)21(12-15)33-3/h4-13H,27H2,1-3H3,(H,28,30)
InChIKeyIWQBFMNKTIIQHK-UHFFFAOYSA-N
MW463.92 g/mol
LogP5.14
Rot. Bonds5

About 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide

2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide (PubChem CID 100818597) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide
PubChem CID100818597
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC Name2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide
SMILESCOc1ccc(C(=O)n2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)cc1OC
InChIInChI=1S/C25H22ClN3O4/c1-14-8-10-16(26)13-18(14)28-24(30)22-17-6-4-5-7-19(17)29(23(22)27)25(31)15-9-11-20(32-2)21(12-15)33-3/h4-13H,27H2,1-3H3,(H,28,30)
InChIKeyIWQBFMNKTIIQHK-UHFFFAOYSA-N
XLogP5.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 3022731
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide (CID 100818597) is 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide is COc1ccc(C(=O)n2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)cc1OC.
What is the InChIKey of 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide?
The InChIKey is IWQBFMNKTIIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-14-8-10-16(26)13-18(14)28-24(30)22-17-6-4-5-7-19(17)29(23(22)27)25(31)15-9-11-20(32-2)21(12-15)33-3/h4-13H,27H2,1-3H3,(H,28,30).
What are the key properties of 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide?
2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide has a molecular weight of 463.92 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-methylphenyl)-1-(3,4-dimethoxybenzoyl)indole-3-carboxamide is sourced from PubChem (CID 100818597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).