(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H12F2N2O — CID 61148995

IUPAC(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H12F2N2O/c16-10-5-3-6-11(17)14(10)19-15(20)13-8-9-4-1-2-7-12(9)18-13/h1-7,13,18H,8H2,(H,19,20)/t13-/m0/s1
InChIKeyQWDZWALYWFUXRM-ZDUSSCGKSA-N
MW274.27 g/mol
LogP2.94
Rot. Bonds2

About (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61148995) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61148995
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H12F2N2O/c16-10-5-3-6-11(17)14(10)19-15(20)13-8-9-4-1-2-7-12(9)18-13/h1-7,13,18H,8H2,(H,19,20)/t13-/m0/s1
InChIKeyQWDZWALYWFUXRM-ZDUSSCGKSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
N-(2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24690959
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61148995) is (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is QWDZWALYWFUXRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-10-5-3-6-11(17)14(10)19-15(20)13-8-9-4-1-2-7-12(9)18-13/h1-7,13,18H,8H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61148995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).