(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide

C18H18N2O2 — CID 40829167

IUPAC(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-7-8-14(9-12(11)2)18(22)20-15-6-4-3-5-13(15)10-16(20)17(19)21/h3-9,16H,10H2,1-2H3,(H2,19,21)/t16-/m1/s1
InChIKeyKZAQEONQBGKHFU-MRXNPFEDSA-N
MW294.35 g/mol
LogP2.36
Rot. Bonds2

About (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide

(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 40829167) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID40829167
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1C
InChIInChI=1S/C18H18N2O2/c1-11-7-8-14(9-12(11)2)18(22)20-15-6-4-3-5-13(15)10-16(20)17(19)21/h3-9,16H,10H2,1-2H3,(H2,19,21)/t16-/m1/s1
InChIKeyKZAQEONQBGKHFU-MRXNPFEDSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(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
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
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide (CID 40829167) is (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide is Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1C.
What is the InChIKey of (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is KZAQEONQBGKHFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-7-8-14(9-12(11)2)18(22)20-15-6-4-3-5-13(15)10-16(20)17(19)21/h3-9,16H,10H2,1-2H3,(H2,19,21)/t16-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide?
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 40829167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).