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

C14H9ClF3N3O2 — CID 162621094

IUPAC2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cccnc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N3O2/c15-11-10(5-2-6-19-11)12(22)21-13(23)20-9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H2,20,21,22,23)
InChIKeyUCTOHSNEOXXWFY-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.72
Rot. Bonds2

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

2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide (PubChem CID 162621094) has the molecular formula C14H9ClF3N3O2 and a molecular weight of 343.69 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
PubChem CID162621094
Molecular FormulaC14H9ClF3N3O2
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC Name2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cccnc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N3O2/c15-11-10(5-2-6-19-11)12(22)21-13(23)20-9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H2,20,21,22,23)
InChIKeyUCTOHSNEOXXWFY-UHFFFAOYSA-N
XLogP3.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 146642431
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide (CID 162621094) is 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide is O=C(NC(=O)c1cccnc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide?
The InChIKey is UCTOHSNEOXXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2/c15-11-10(5-2-6-19-11)12(22)21-13(23)20-9-4-1-3-8(7-9)14(16,17)18/h1-7H,(H2,20,21,22,23).
What are the key properties of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide?
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide has a molecular weight of 343.69 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 162621094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).