2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide

C21H17ClF3N3O — CID 71628646

IUPAC2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccccc2NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClF3N3O/c1-28(2)19-12-13(21(23,24)25)11-18(26-19)15-8-4-6-10-17(15)27-20(29)14-7-3-5-9-16(14)22/h3-12H,1-2H3,(H,27,29)
InChIKeySFNPMZKHCHLBIO-UHFFFAOYSA-N
MW419.83 g/mol
LogP5.74
Rot. Bonds4

About 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide

2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 71628646) has the molecular formula C21H17ClF3N3O and a molecular weight of 419.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
PubChem CID71628646
Molecular FormulaC21H17ClF3N3O
Molecular Weight419.83 g/mol
Exact Mass419.10
IUPAC Name2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccccc2NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClF3N3O/c1-28(2)19-12-13(21(23,24)25)11-18(26-19)15-8-4-6-10-17(15)27-20(29)14-7-3-5-9-16(14)22/h3-12H,1-2H3,(H,27,29)
InChIKeySFNPMZKHCHLBIO-UHFFFAOYSA-N
XLogP5.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.83
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71628222
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
N-(4-chlorophenyl)-3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71628225
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110299286
5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55874460
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
2,2,2-trichloro-N-[(E)-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-N-methylacetamide
CID 91654843
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide (CID 71628646) is 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide is CN(C)c1cc(C(F)(F)F)cc(-c2ccccc2NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is SFNPMZKHCHLBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O/c1-28(2)19-12-13(21(23,24)25)11-18(26-19)15-8-4-6-10-17(15)27-20(29)14-7-3-5-9-16(14)22/h3-12H,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide?
2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 419.83 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 71628646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).