1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide

C21H22N2O2 — CID 53080907

IUPAC1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C21H22N2O2/c1-13-9-14(2)11-18(10-13)22-20(24)17-5-6-19-16(12-17)7-8-23(19)21(25)15-3-4-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyUEKTVGNDOBEVKV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.85
Rot. Bonds3

About 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide

1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 53080907) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID53080907
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C21H22N2O2/c1-13-9-14(2)11-18(10-13)22-20(24)17-5-6-19-16(12-17)7-8-23(19)21(25)15-3-4-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyUEKTVGNDOBEVKV-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080913
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82258607
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propan-1-one;ethane
CID 170705246
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258730
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide (CID 53080907) is 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is UEKTVGNDOBEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-9-14(2)11-18(10-13)22-20(24)17-5-6-19-16(12-17)7-8-23(19)21(25)15-3-4-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,24).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 53080907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).