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

C17H17FN2O — CID 61155551

IUPAC(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)cc1F
InChIInChI=1S/C17H17FN2O/c1-11-6-7-12(8-14(11)18)10-19-17(21)16-9-13-4-2-3-5-15(13)20-16/h2-8,16,20H,9-10H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyJCCMWCOYPUKPRT-INIZCTEOSA-N
MW284.33 g/mol
LogP2.79
Rot. Bonds3

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

(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155551) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155551
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)cc1F
InChIInChI=1S/C17H17FN2O/c1-11-6-7-12(8-14(11)18)10-19-17(21)16-9-13-4-2-3-5-15(13)20-16/h2-8,16,20H,9-10H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyJCCMWCOYPUKPRT-INIZCTEOSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76887453
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895269
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61155551) is (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2)cc1F.
What is the InChIKey of (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JCCMWCOYPUKPRT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-6-7-12(8-14(11)18)10-19-17(21)16-9-13-4-2-3-5-15(13)20-16/h2-8,16,20H,9-10H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).