N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide

C14H12ClFN2O — CID 110790543

IUPACN-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cc(Cl)ccc1F)c1ccncc1
InChIInChI=1S/C14H12ClFN2O/c15-12-1-2-13(16)11(9-12)5-8-18-14(19)10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H,18,19)
InChIKeyLVKAQWYPMKYPSD-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide

N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110790543) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID110790543
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cc(Cl)ccc1F)c1ccncc1
InChIInChI=1S/C14H12ClFN2O/c15-12-1-2-13(16)11(9-12)5-8-18-14(19)10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H,18,19)
InChIKeyLVKAQWYPMKYPSD-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
1-amino-3-[2-(5-chloro-2-fluorophenyl)ethyl]urea
CID 115192937
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
CID 115139327
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 110790543) is N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1cc(Cl)ccc1F)c1ccncc1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is LVKAQWYPMKYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-1-2-13(16)11(9-12)5-8-18-14(19)10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H,18,19).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide?
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110790543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).