N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C13H8ClF3N2O — CID 2726833

IUPACN-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-8-1-3-9(4-2-8)19-12(20)10-7-18-6-5-11(10)13(15,16)17/h1-7H,(H,19,20)
InChIKeyOMUDPGRKMROHMK-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726833) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726833
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O/c14-8-1-3-9(4-2-8)19-12(20)10-7-18-6-5-11(10)13(15,16)17/h1-7H,(H,19,20)
InChIKeyOMUDPGRKMROHMK-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
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CID 3120536
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CID 6862672
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726833) is N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OMUDPGRKMROHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-8-1-3-9(4-2-8)19-12(20)10-7-18-6-5-11(10)13(15,16)17/h1-7H,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 300.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).