4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide

C15H16ClFN2O — CID 61123792

IUPAC4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20)
InChIKeyLQHSHOJZLHHFMB-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide

4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide (PubChem CID 61123792) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
PubChem CID61123792
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20)
InChIKeyLQHSHOJZLHHFMB-UHFFFAOYSA-N
XLogP3.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
CID 63823444
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
3-chloro-N-[cyano(cyclohexyl)methyl]-5-methylbenzamide
CID 81001939
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
1-[cyano(cyclohexyl)methyl]-3-(3,5-dichlorophenyl)urea
CID 107653440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide (CID 61123792) is 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide is N#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1.
What is the InChIKey of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The InChIKey is LQHSHOJZLHHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20).
What are the key properties of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide has a molecular weight of 294.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 61123792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).