1-methyl-N-phenylindole-3-carboxamide

C16H14N2O — CID 9038340

IUPAC1-methyl-N-phenylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19)
InChIKeyOEZFAXRACDZTJB-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.43
Rot. Bonds2

About 1-methyl-N-phenylindole-3-carboxamide

1-methyl-N-phenylindole-3-carboxamide (PubChem CID 9038340) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenylindole-3-carboxamide
PubChem CID9038340
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-methyl-N-phenylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19)
InChIKeyOEZFAXRACDZTJB-UHFFFAOYSA-N
XLogP3.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
1-methyl-5-nitro-N-phenylindole-3-carboxamide
CID 19375024
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide
CID 46402616
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 55993689
CID 87065455
CID 87065455
1-methylindole-3-carbothioic S-acid
CID 116918837
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenylindole-3-carboxamide?
The IUPAC name of 1-methyl-N-phenylindole-3-carboxamide (CID 9038340) is 1-methyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-methyl-N-phenylindole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-N-phenylindole-3-carboxamide?
The InChIKey is OEZFAXRACDZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19).
What are the key properties of 1-methyl-N-phenylindole-3-carboxamide?
1-methyl-N-phenylindole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 9038340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).