5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide

C18H14F2N2O — CID 126806763

IUPAC5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1c1ccccc1F)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H14F2N2O/c19-11-5-6-15-10(7-11)8-17(21-15)18(23)22-16-9-13(16)12-3-1-2-4-14(12)20/h1-8,13,16,21H,9H2,(H,22,23)
InChIKeyBDEVKIDFPGPQJC-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.73
Rot. Bonds3

About 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide

5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 126806763) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID126806763
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1c1ccccc1F)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H14F2N2O/c19-11-5-6-15-10(7-11)8-17(21-15)18(23)22-16-9-13(16)12-3-1-2-4-14(12)20/h1-8,13,16,21H,9H2,(H,22,23)
InChIKeyBDEVKIDFPGPQJC-UHFFFAOYSA-N
XLogP3.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[(1R)-1-propyl-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 143271417
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-fluoro-1H-indole-2-carboxamide
CID 172664472
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid
CID 11516483
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
CID 11516790
cis-ethyl (1S,3R)-4-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylate
CID 142089232
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
4-acetyl-N-[2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 126813051
4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 166247059
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide
CID 135099333
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide (CID 126806763) is 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide is O=C(NC1CC1c1ccccc1F)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is BDEVKIDFPGPQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c19-11-5-6-15-10(7-11)8-17(21-15)18(23)22-16-9-13(16)12-3-1-2-4-14(12)20/h1-8,13,16,21H,9H2,(H,22,23).
What are the key properties of 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide?
5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126806763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).