N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide

C13H8ClF3N2O — CID 115626766

IUPACN-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8ClF3N2O/c14-10-4-5-18-11(7-10)19-12(20)8-2-1-3-9(6-8)13(15,16)17/h1-7H,(H,18,19,20)
InChIKeyDKJSHARDQPAUBS-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide

N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 115626766) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID115626766
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8ClF3N2O/c14-10-4-5-18-11(7-10)19-12(20)8-2-1-3-9(6-8)13(15,16)17/h1-7H,(H,18,19,20)
InChIKeyDKJSHARDQPAUBS-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

3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 2740405
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide (CID 115626766) is N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DKJSHARDQPAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-4-5-18-11(7-10)19-12(20)8-2-1-3-9(6-8)13(15,16)17/h1-7H,(H,18,19,20).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
N-(4-chloro-2-pyridinyl)-3-(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-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115626766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).