N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide

C16H13ClN2O — CID 43582392

IUPACN-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-5-6-11(9-14(10)17)19-16(20)13-3-2-4-15-12(13)7-8-18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyNKBGPHZOWPEMMK-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.38
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide

N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide (PubChem CID 43582392) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
PubChem CID43582392
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-5-6-11(9-14(10)17)19-16(20)13-3-2-4-15-12(13)7-8-18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyNKBGPHZOWPEMMK-UHFFFAOYSA-N
XLogP4.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
N-(5-fluoro-2-methylphenyl)-1H-indole-4-carboxamide
CID 43582640
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
CID 43582943
N-(4-bromo-2-chlorophenyl)-1H-indole-4-carboxamide
CID 43582829

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide (CID 43582392) is N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide is Cc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide?
The InChIKey is NKBGPHZOWPEMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-5-6-11(9-14(10)17)19-16(20)13-3-2-4-15-12(13)7-8-18-15/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 43582392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).