4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide

C15H12ClFN2O — CID 59672610

IUPAC4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
SMILESO=C(NC1CC1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C15H12ClFN2O/c16-12-2-1-7-18-14(12)11-6-3-9(8-13(11)17)15(20)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,20)
InChIKeyOFRPLAMPFXZASX-UHFFFAOYSA-N
MW290.72 g/mol
LogP3.43
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide (PubChem CID 59672610) has the molecular formula C15H12ClFN2O and a molecular weight of 290.72 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
PubChem CID59672610
Molecular FormulaC15H12ClFN2O
Molecular Weight290.72 g/mol
Exact Mass290.06
IUPAC Name4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
SMILESO=C(NC1CC1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C15H12ClFN2O/c16-12-2-1-7-18-14(12)11-6-3-9(8-13(11)17)15(20)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,20)
InChIKeyOFRPLAMPFXZASX-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
3-fluoro-4-furo[3,2-c]pyridin-4-yl-N-(4-hydroxycyclohexyl)benzamide
CID 162519654
N-cyclohexyl-3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900569
3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
3-chloro-4-fluoro-N-[4-[(4-methyl-2-pyridinyl)amino]cyclohexyl]benzamide;hydrochloride
CID 69245118
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
3-chloro-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 131934591

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide (CID 59672610) is 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide is O=C(NC1CC1)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide?
The InChIKey is OFRPLAMPFXZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-2-1-7-18-14(12)11-6-3-9(8-13(11)17)15(20)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,20).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide has a molecular weight of 290.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide is sourced from PubChem (CID 59672610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).