(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H15FN2O — CID 62813197

IUPAC(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Cc3ccccc3N2)ccc1F
InChIInChI=1S/C16H15FN2O/c1-10-8-12(6-7-13(10)17)18-16(20)15-9-11-4-2-3-5-14(11)19-15/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyXDHJJHYVMLYAFU-HNNXBMFYSA-N
MW270.31 g/mol
LogP3.11
Rot. Bonds2

About (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 62813197) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID62813197
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Cc3ccccc3N2)ccc1F
InChIInChI=1S/C16H15FN2O/c1-10-8-12(6-7-13(10)17)18-16(20)15-9-11-4-2-3-5-14(11)19-15/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyXDHJJHYVMLYAFU-HNNXBMFYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 43185137
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 62813197) is (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1cc(NC(=O)[C@@H]2Cc3ccccc3N2)ccc1F.
What is the InChIKey of (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is XDHJJHYVMLYAFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-8-12(6-7-13(10)17)18-16(20)15-9-11-4-2-3-5-14(11)19-15/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 62813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).