4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide

C16H17N3O — CID 63356081

IUPAC4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
SMILESCC1Cc2ccccc2N1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C16H17N3O/c1-10-8-11-4-2-3-5-14(11)19(10)15-9-12(16(18)20)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3,(H2,18,20)
InChIKeyVOMYRCYWDFOKGP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide

4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide (PubChem CID 63356081) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
PubChem CID63356081
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
SMILESCC1Cc2ccccc2N1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C16H17N3O/c1-10-8-11-4-2-3-5-14(11)19(10)15-9-12(16(18)20)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3,(H2,18,20)
InChIKeyVOMYRCYWDFOKGP-UHFFFAOYSA-N
XLogP2.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 43185008

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide?
The IUPAC name of 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide (CID 63356081) is 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide is CC1Cc2ccccc2N1c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide?
The InChIKey is VOMYRCYWDFOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-8-11-4-2-3-5-14(11)19(10)15-9-12(16(18)20)6-7-13(15)17/h2-7,9-10H,8,17H2,1H3,(H2,18,20).
What are the key properties of 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide?
4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 63356081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).