4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide

C15H19ClFNO — CID 112805278

IUPAC4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1F)C1CCCCCC1
InChIInChI=1S/C15H19ClFNO/c1-18(12-6-4-2-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3
InChIKeyFHKBVBSVVZWJNJ-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.27
Rot. Bonds2

About 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide

4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide (PubChem CID 112805278) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
PubChem CID112805278
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1F)C1CCCCCC1
InChIInChI=1S/C15H19ClFNO/c1-18(12-6-4-2-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3
InChIKeyFHKBVBSVVZWJNJ-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide (CID 112805278) is 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1F)C1CCCCCC1.
What is the InChIKey of 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide?
The InChIKey is FHKBVBSVVZWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-18(12-6-4-2-3-5-7-12)15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide?
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide has a molecular weight of 283.77 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 112805278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).