N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide

C14H12ClFN2O — CID 110851104

IUPACN-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(Cl)c1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-10-5-3-2-4-6-10)14(19)11-7-8-17-13(15)12(11)16/h2-8H,9H2,1H3
InChIKeyHNPUCDNRDOAPSM-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.15
Rot. Bonds3

About N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide

N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 110851104) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID110851104
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(Cl)c1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-10-5-3-2-4-6-10)14(19)11-7-8-17-13(15)12(11)16/h2-8H,9H2,1H3
InChIKeyHNPUCDNRDOAPSM-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.15
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

2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide (CID 110851104) is N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(Cl)c1F.
What is the InChIKey of N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is HNPUCDNRDOAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(9-10-5-3-2-4-6-10)14(19)11-7-8-17-13(15)12(11)16/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide?
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 110851104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).