4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide

C15H14ClFN2O — CID 81225414

IUPAC4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-10(11-3-5-12(17)6-4-11)19(2)15(20)13-9-18-8-7-14(13)16/h3-10H,1-2H3
InChIKeyMBGONZRPRPSOAP-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.71
Rot. Bonds3

About 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide

4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 81225414) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID81225414
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-10(11-3-5-12(17)6-4-11)19(2)15(20)13-9-18-8-7-14(13)16/h3-10H,1-2H3
InChIKeyMBGONZRPRPSOAP-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 103817080
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 81225414) is 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MBGONZRPRPSOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(11-3-5-12(17)6-4-11)19(2)15(20)13-9-18-8-7-14(13)16/h3-10H,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 292.74 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).