N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide

C14H16ClF2NO — CID 114147871

IUPACN-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cccc(F)c1F
InChIInChI=1S/C14H16ClF2NO/c15-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(16)13(11)17/h1-3,9-10H,4-8H2,(H,18,19)
InChIKeyMNPVMCFPPRJUAF-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.49
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide

N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide (PubChem CID 114147871) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
PubChem CID114147871
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cccc(F)c1F
InChIInChI=1S/C14H16ClF2NO/c15-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(16)13(11)17/h1-3,9-10H,4-8H2,(H,18,19)
InChIKeyMNPVMCFPPRJUAF-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-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide (CID 114147871) is N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide is O=C(NCC1CCC(Cl)CC1)c1cccc(F)c1F.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide?
The InChIKey is MNPVMCFPPRJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c15-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(16)13(11)17/h1-3,9-10H,4-8H2,(H,18,19).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide?
N-[(4-chlorocyclohexyl)methyl]-2,3-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-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 114147871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).