N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C16H14BrFN2O — CID 76895269

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1Cc2ccccc2N1
InChIInChI=1S/C16H14BrFN2O/c17-13-6-5-12(18)7-11(13)9-19-16(21)15-8-10-3-1-2-4-14(10)20-15/h1-7,15,20H,8-9H2,(H,19,21)
InChIKeyFHBGSSRHKUHTBW-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.24
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76895269) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76895269
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1Cc2ccccc2N1
InChIInChI=1S/C16H14BrFN2O/c17-13-6-5-12(18)7-11(13)9-19-16(21)15-8-10-3-1-2-4-14(10)20-15/h1-7,15,20H,8-9H2,(H,19,21)
InChIKeyFHBGSSRHKUHTBW-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 59200611
2,3-Dihydro-1H-indole-2-carboxamide
CID 13937810
N-(5-bromo-1-methyl-2-oxo-3H-indol-3-yl)acetamide
CID 2966801
N-[5-bromo-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3624319
N-cyclohexyl-2-(2,3-dihydro-1H-indol-1-yl)-2-phenylacetamide
CID 3680932
N-methyl-1-(2-phenylacetyl)indoline-2-carboxamide
CID 18587977
1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18587979
(2R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428968
N-[2,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 49862901
1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 92881734
1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 122192204

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76895269) is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1cc(F)ccc1Br)C1Cc2ccccc2N1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FHBGSSRHKUHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-13-6-5-12(18)7-11(13)9-19-16(21)15-8-10-3-1-2-4-14(10)20-15/h1-7,15,20H,8-9H2,(H,19,21).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76895269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).