N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide

C13H8ClF3N2O — CID 3719290

IUPACN-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20)
InChIKeyCIJXLFIHAWRBFW-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide

N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 3719290) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID3719290
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8ClF3N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20)
InChIKeyCIJXLFIHAWRBFW-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

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 58016180
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 78929856
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 3719290) is N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CIJXLFIHAWRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide 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-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3719290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).