N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide

C23H25N3O2 — CID 53013364

IUPACN-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)NC3CCCCC3)[nH]c3ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-15-8-7-9-16(14-15)22(27)26-20-18-12-5-6-13-19(18)25-21(20)23(28)24-17-10-3-2-4-11-17/h5-9,12-14,17,25H,2-4,10-11H2,1H3,(H,24,28)(H,26,27)
InChIKeyXAVNIGQFSMXZGF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.79
Rot. Bonds4

About N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide

N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide (PubChem CID 53013364) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
PubChem CID53013364
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)NC3CCCCC3)[nH]c3ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-15-8-7-9-16(14-15)22(27)26-20-18-12-5-6-13-19(18)25-21(20)23(28)24-17-10-3-2-4-11-17/h5-9,12-14,17,25H,2-4,10-11H2,1H3,(H,24,28)(H,26,27)
InChIKeyXAVNIGQFSMXZGF-UHFFFAOYSA-N
XLogP4.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-methylbenzamide
CID 966011
N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 171141615
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
N-cyclohexyl-3-nitro-1H-indole-2-carboxamide
CID 10541273
N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
CID 46391981
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide (CID 53013364) is N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide is Cc1cccc(C(=O)Nc2c(C(=O)NC3CCCCC3)[nH]c3ccccc23)c1.
What is the InChIKey of N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The InChIKey is XAVNIGQFSMXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-8-7-9-16(14-15)22(27)26-20-18-12-5-6-13-19(18)25-21(20)23(28)24-17-10-3-2-4-11-17/h5-9,12-14,17,25H,2-4,10-11H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide?
N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 53013364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).