4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide

C14H12ClFN2O — CID 31799254

IUPAC4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClFN2O/c15-11-5-7-17-13(9-11)14(19)18-6-4-10-2-1-3-12(16)8-10/h1-3,5,7-9H,4,6H2,(H,18,19)
InChIKeyFDIBEOWHJWSYLC-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide

4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 31799254) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID31799254
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClFN2O/c15-11-5-7-17-13(9-11)14(19)18-6-4-10-2-1-3-12(16)8-10/h1-3,5,7-9H,4,6H2,(H,18,19)
InChIKeyFDIBEOWHJWSYLC-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

4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 31799254) is 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1cccc(F)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is FDIBEOWHJWSYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-5-7-17-13(9-11)14(19)18-6-4-10-2-1-3-12(16)8-10/h1-3,5,7-9H,4,6H2,(H,18,19).
What are the key properties of 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-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 4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 31799254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).