4-chloro-N-cycloheptyl-2-fluorobenzamide

C14H17ClFNO — CID 26002204

IUPAC4-chloro-N-cycloheptyl-2-fluorobenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18)
InChIKeyHVPJHXFGJZQMEY-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-N-cycloheptyl-2-fluorobenzamide

4-chloro-N-cycloheptyl-2-fluorobenzamide (PubChem CID 26002204) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-2-fluorobenzamide
PubChem CID26002204
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name4-chloro-N-cycloheptyl-2-fluorobenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18)
InChIKeyHVPJHXFGJZQMEY-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-cycloheptyl-2-fluorobenzamide (CID 26002204) is 4-chloro-N-cycloheptyl-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-2-fluorobenzamide is O=C(NC1CCCCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-cycloheptyl-2-fluorobenzamide?
The InChIKey is HVPJHXFGJZQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2,(H,17,18).
What are the key properties of 4-chloro-N-cycloheptyl-2-fluorobenzamide?
4-chloro-N-cycloheptyl-2-fluorobenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-2-fluorobenzamide is sourced from PubChem (CID 26002204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).