N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide

C14H16ClF2NO — CID 114179554

IUPACN-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16ClF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyJXDGFASMUMLCAQ-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.49
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide

N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide (PubChem CID 114179554) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
PubChem CID114179554
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16ClF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyJXDGFASMUMLCAQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide (CID 114179554) is N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide is O=C(NC1CCCCC1CCl)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide?
The InChIKey is JXDGFASMUMLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c15-8-9-3-1-2-4-13(9)18-14(19)10-5-11(16)7-12(17)6-10/h5-7,9,13H,1-4,8H2,(H,18,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide?
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide has a molecular weight of 287.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide is sourced from PubChem (CID 114179554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).