1-(3,5-dimethylphenyl)indole-2-carboxamide

C17H16N2O — CID 175028447

IUPAC1-(3,5-dimethylphenyl)indole-2-carboxamide
SMILESCc1cc(C)cc(-n2c(C(N)=O)cc3ccccc32)c1
InChIInChI=1S/C17H16N2O/c1-11-7-12(2)9-14(8-11)19-15-6-4-3-5-13(15)10-16(19)17(18)20/h3-10H,1-2H3,(H2,18,20)
InChIKeyWSRDDYZXBPVNAH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(3,5-dimethylphenyl)indole-2-carboxamide

1-(3,5-dimethylphenyl)indole-2-carboxamide (PubChem CID 175028447) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)indole-2-carboxamide
PubChem CID175028447
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(3,5-dimethylphenyl)indole-2-carboxamide
SMILESCc1cc(C)cc(-n2c(C(N)=O)cc3ccccc32)c1
InChIInChI=1S/C17H16N2O/c1-11-7-12(2)9-14(8-11)19-15-6-4-3-5-13(15)10-16(19)17(18)20/h3-10H,1-2H3,(H2,18,20)
InChIKeyWSRDDYZXBPVNAH-UHFFFAOYSA-N
XLogP3.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)indole-2-carboxamide
CID 154319085
1-(trifluoromethyl)indole-2-carboxamide
CID 141282028
1-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 174715145
N,1-bis(4-aminophenyl)indole-2-carboxamide
CID 159247569
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
1-anilinoindole-2-carboxamide
CID 118162035
amino-(2-carbamoylindol-1-yl)methanesulfonic acid
CID 174453323
1-phenylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 151105534
1-(4-methyl-3-nitrophenyl)indole-2-carboxylic acid
CID 69378829
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)indole-2-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)indole-2-carboxamide (CID 175028447) is 1-(3,5-dimethylphenyl)indole-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)indole-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)indole-2-carboxamide is Cc1cc(C)cc(-n2c(C(N)=O)cc3ccccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)indole-2-carboxamide?
The InChIKey is WSRDDYZXBPVNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-7-12(2)9-14(8-11)19-15-6-4-3-5-13(15)10-16(19)17(18)20/h3-10H,1-2H3,(H2,18,20).
What are the key properties of 1-(3,5-dimethylphenyl)indole-2-carboxamide?
1-(3,5-dimethylphenyl)indole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)indole-2-carboxamide is sourced from PubChem (CID 175028447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).