N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide

C22H23N3O2 — CID 131946892

IUPACN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-11-18(24-21(26)15-6-2-3-7-15)19(12-14)25-22(27)20-13-16-8-4-5-9-17(16)23-20/h4-5,8-13,15,23H,2-3,6-7H2,1H3,(H,24,26)(H,25,27)
InChIKeyJPZWCLIORSAXEE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.86
Rot. Bonds4

About N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide

N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide (PubChem CID 131946892) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
PubChem CID131946892
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-11-18(24-21(26)15-6-2-3-7-15)19(12-14)25-22(27)20-13-16-8-4-5-9-17(16)23-20/h4-5,8-13,15,23H,2-3,6-7H2,1H3,(H,24,26)(H,25,27)
InChIKeyJPZWCLIORSAXEE-UHFFFAOYSA-N
XLogP4.86
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
CID 131930794
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide (CID 131946892) is N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide?
The InChIKey is JPZWCLIORSAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-10-11-18(24-21(26)15-6-2-3-7-15)19(12-14)25-22(27)20-13-16-8-4-5-9-17(16)23-20/h4-5,8-13,15,23H,2-3,6-7H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide?
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 131946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).