N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide

C13H10ClFN2O — CID 115678914

IUPACN-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccn2)c(F)c1
InChIInChI=1S/C13H10ClFN2O/c1-8-2-3-10(11(15)6-8)13(18)17-12-7-9(14)4-5-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyCJWBELKFWSBPSP-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide

N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide (PubChem CID 115678914) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
PubChem CID115678914
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccn2)c(F)c1
InChIInChI=1S/C13H10ClFN2O/c1-8-2-3-10(11(15)6-8)13(18)17-12-7-9(14)4-5-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyCJWBELKFWSBPSP-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 115876919
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide (CID 115678914) is N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)ccn2)c(F)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide?
The InChIKey is CJWBELKFWSBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-2-3-10(11(15)6-8)13(18)17-12-7-9(14)4-5-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide?
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 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)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 115678914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).