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

C14H12ClFN2O — CID 32695783

IUPAC2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c15-13-9-11(5-7-17-13)14(19)18-6-4-10-2-1-3-12(16)8-10/h1-3,5,7-9H,4,6H2,(H,18,19)
InChIKeyYRKNZIGEIBKTHT-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.85
Rot. Bonds4

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

2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 32695783) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID32695783
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c15-13-9-11(5-7-17-13)14(19)18-6-4-10-2-1-3-12(16)8-10/h1-3,5,7-9H,4,6H2,(H,18,19)
InChIKeyYRKNZIGEIBKTHT-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

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
CID 38526114
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 78812366
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 32695783) is 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1cccc(F)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is YRKNZIGEIBKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-13-9-11(5-7-17-13)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 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-chloro-N-[2-(3-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 2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 32695783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).