(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide

C17H16N2O2 — CID 41428724

IUPAC(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1cccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-11-5-4-7-13(9-11)17(21)19-14-8-3-2-6-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyGLUBPPGWXXJBOQ-HNNXBMFYSA-N
MW280.33 g/mol
LogP2.05
Rot. Bonds2

About (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 41428724) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID41428724
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1cccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-11-5-4-7-13(9-11)17(21)19-14-8-3-2-6-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyGLUBPPGWXXJBOQ-HNNXBMFYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide (CID 41428724) is (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide is Cc1cccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1.
What is the InChIKey of (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is GLUBPPGWXXJBOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-4-7-13(9-11)17(21)19-14-8-3-2-6-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-/m0/s1.
What are the key properties of (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).