2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C15H11ClF3N3O2 — CID 174269915

IUPAC2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C15H11ClF3N3O2/c1-20-14(24)9-6-7-12(15(17,18)19)21-13(9)22(8-23)11-5-3-2-4-10(11)16/h2-8H,1H3,(H,20,24)
InChIKeyKMNMETHAGSVYDO-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 174269915) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID174269915
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Name2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C15H11ClF3N3O2/c1-20-14(24)9-6-7-12(15(17,18)19)21-13(9)22(8-23)11-5-3-2-4-10(11)16/h2-8H,1H3,(H,20,24)
InChIKeyKMNMETHAGSVYDO-UHFFFAOYSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
CID 154933636
N-(2-chlorophenyl)-N-[3-(1,5-dimethylimidazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]formamide
CID 167150769
N-(2-chlorophenyl)-N-[3-[5-methyl-3-(2-methylsulfanyloxyethyl)imidazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]formamide
CID 167150733
2-(dimethylamino)-N-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 126474962
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
CID 123279276
N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide
CID 174351573
2-(1,1-difluoroethyl)-N-methylbenzamide
CID 162577291
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 174269915) is 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CNC(=O)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KMNMETHAGSVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c1-20-14(24)9-6-7-12(15(17,18)19)21-13(9)22(8-23)11-5-3-2-4-10(11)16/h2-8H,1H3,(H,20,24).
What are the key properties of 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 357.72 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 174269915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).