2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H13ClF3N3O — CID 23632330

IUPAC2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C19H13ClF3N3O/c20-15-8-1-2-9-16(15)26-17-14(7-4-10-24-17)18(27)25-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyIXBZDHPXVRVULB-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.75
Rot. Bonds4

About 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 23632330) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID23632330
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1Cl
InChIInChI=1S/C19H13ClF3N3O/c20-15-8-1-2-9-16(15)26-17-14(7-4-10-24-17)18(27)25-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyIXBZDHPXVRVULB-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 23632330) is 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IXBZDHPXVRVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-15-8-1-2-9-16(15)26-17-14(7-4-10-24-17)18(27)25-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 391.78 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23632330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).