3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide

C14H12ClFN2O — CID 66482587

IUPAC3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-2-18(11-5-3-4-10(16)8-11)14(19)12-6-7-17-9-13(12)15/h3-9H,2H2,1H3
InChIKeyQJMQJSWFBNZKRG-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide

3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide (PubChem CID 66482587) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
PubChem CID66482587
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-2-18(11-5-3-4-10(16)8-11)14(19)12-6-7-17-9-13(12)15/h3-9H,2H2,1H3
InChIKeyQJMQJSWFBNZKRG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62179071
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
4-amino-N,1-diethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 65359004
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63102705
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide (CID 66482587) is 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide is CCN(C(=O)c1ccncc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is QJMQJSWFBNZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-2-18(11-5-3-4-10(16)8-11)14(19)12-6-7-17-9-13(12)15/h3-9H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide?
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).