N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide

C19H15FN2O — CID 52733507

IUPACN-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15FN2O/c20-18-13-16(11-12-21-18)19(23)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyYOXLPAHKULGYFG-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.07
Rot. Bonds4

About N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide

N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide (PubChem CID 52733507) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
PubChem CID52733507
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC NameN-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15FN2O/c20-18-13-16(11-12-21-18)19(23)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyYOXLPAHKULGYFG-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-ethyl-2-fluoro-N-(3-hydroxyphenyl)pyridine-4-carboxamide
CID 107856603
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide (CID 52733507) is N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide is O=C(c1ccnc(F)c1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide?
The InChIKey is YOXLPAHKULGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-18-13-16(11-12-21-18)19(23)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide?
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 52733507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).