N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H12ClFN2O — CID 76892616

IUPACN-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1Cc2ccccc2N1
InChIInChI=1S/C15H12ClFN2O/c16-10-5-3-7-12(14(10)17)19-15(20)13-8-9-4-1-2-6-11(9)18-13/h1-7,13,18H,8H2,(H,19,20)
InChIKeyXNJCAZVVJLWPQD-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.45
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76892616) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76892616
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC NameN-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1Cc2ccccc2N1
InChIInChI=1S/C15H12ClFN2O/c16-10-5-3-7-12(14(10)17)19-15(20)13-8-9-4-1-2-6-11(9)18-13/h1-7,13,18H,8H2,(H,19,20)
InChIKeyXNJCAZVVJLWPQD-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402
(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61179668

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76892616) is N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cccc(Cl)c1F)C1Cc2ccccc2N1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is XNJCAZVVJLWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-10-5-3-7-12(14(10)17)19-15(20)13-8-9-4-1-2-6-11(9)18-13/h1-7,13,18H,8H2,(H,19,20).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 290.73 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76892616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).