6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C15H9Cl2F3N2O2 — CID 2781023

IUPAC6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2F3N2O2/c16-9-3-1-8(2-4-9)12(23)7-22-14(24)10-6-21-13(17)5-11(10)15(18,19)20/h1-6H,7H2,(H,22,24)
InChIKeyZLABMJOGRQHNDP-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2781023) has the molecular formula C15H9Cl2F3N2O2 and a molecular weight of 377.15 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2781023
Molecular FormulaC15H9Cl2F3N2O2
Molecular Weight377.15 g/mol
Exact Mass376.00
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2F3N2O2/c16-9-3-1-8(2-4-9)12(23)7-22-14(24)10-6-21-13(17)5-11(10)15(18,19)20/h1-6H,7H2,(H,22,24)
InChIKeyZLABMJOGRQHNDP-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727022
5-chloro-N-phenacylpyridine-2-carboxamide
CID 64991922
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
6-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 86611245
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
CID 130572192
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
N-(cyclopentylmethyl)-6-(2,4-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2781023) is 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(CNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZLABMJOGRQHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O2/c16-9-3-1-8(2-4-9)12(23)7-22-14(24)10-6-21-13(17)5-11(10)15(18,19)20/h1-6H,7H2,(H,22,24).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 377.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2781023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).