N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C17H17ClN2O — CID 81355683

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESC[C@@H](NC(=O)C1CNc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-9,11,15,19H,10H2,1H3,(H,20,21)/t11-,15?/m1/s1
InChIKeyVJMSXERBJIBYKH-ZRKZCGFPSA-N
MW300.79 g/mol
LogP3.73
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 81355683) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID81355683
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESC[C@@H](NC(=O)C1CNc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-9,11,15,19H,10H2,1H3,(H,20,21)/t11-,15?/m1/s1
InChIKeyVJMSXERBJIBYKH-ZRKZCGFPSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566367
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563211
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566385

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 81355683) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is C[C@@H](NC(=O)C1CNc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is VJMSXERBJIBYKH-ZRKZCGFPSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-9,11,15,19H,10H2,1H3,(H,20,21)/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 81355683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).