N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C16H11F4N3O — CID 171677215

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)c1ccc2[nH]ccc2n1
InChIInChI=1S/C16H11F4N3O/c17-11-7-10(16(18,19)20)2-1-9(11)8-22-15(24)14-4-3-12-13(23-14)5-6-21-12/h1-7,21H,8H2,(H,22,24)
InChIKeyIHQYZUVJIQUKLC-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.65
Rot. Bonds3

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 171677215) has the molecular formula C16H11F4N3O and a molecular weight of 337.28 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID171677215
Molecular FormulaC16H11F4N3O
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)c1ccc2[nH]ccc2n1
InChIInChI=1S/C16H11F4N3O/c17-11-7-10(16(18,19)20)2-1-9(11)8-22-15(24)14-4-3-12-13(23-14)5-6-21-12/h1-7,21H,8H2,(H,22,24)
InChIKeyIHQYZUVJIQUKLC-UHFFFAOYSA-N
XLogP3.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72895193
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 42691492
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-pentylurea
CID 3790964
1-(3,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687858
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
CID 119072217
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3704800
propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
CID 66907827

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 171677215) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1F)c1ccc2[nH]ccc2n1.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is IHQYZUVJIQUKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O/c17-11-7-10(16(18,19)20)2-1-9(11)8-22-15(24)14-4-3-12-13(23-14)5-6-21-12/h1-7,21H,8H2,(H,22,24).
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 171677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).