1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide

C17H12Cl2N2O2 — CID 91690481

IUPAC1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-9-15(16(20)22)11-4-2-3-5-14(11)21(9)17(23)10-6-7-12(18)13(19)8-10/h2-8H,1H3,(H2,20,22)
InChIKeyWWTVNJAYKJPGJT-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.04
Rot. Bonds2

About 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide

1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide (PubChem CID 91690481) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
PubChem CID91690481
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-9-15(16(20)22)11-4-2-3-5-14(11)21(9)17(23)10-6-7-12(18)13(19)8-10/h2-8H,1H3,(H2,20,22)
InChIKeyWWTVNJAYKJPGJT-UHFFFAOYSA-N
XLogP4.04
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
1-(3-chloro-4-methoxybenzoyl)-2-methylindole-3-carboxylic acid
CID 91690715
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029128
1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
1-(4-bromo-3-nitrobenzoyl)-2-methylindole-3-carboxylic acid
CID 91690799
(4S)-4-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 69485600
1-(3-chlorobenzoyl)-2-methylindole-3-carbaldehyde
CID 91690380
methyl 2-methyl-1-(4-methyl-3-nitrobenzoyl)indole-3-carboxylate
CID 91690783
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
CID 99965412

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide (CID 91690481) is 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide is Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide?
The InChIKey is WWTVNJAYKJPGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-9-15(16(20)22)11-4-2-3-5-14(11)21(9)17(23)10-6-7-12(18)13(19)8-10/h2-8H,1H3,(H2,20,22).
What are the key properties of 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide?
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide is sourced from PubChem (CID 91690481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).