N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide

C14H17ClFNO — CID 106132319

IUPACN-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCC(Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17ClFNO/c15-12-3-1-2-10(8-12)9-17-14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,1-3,8-9H2,(H,17,18)
InChIKeyMEFVSHLAFFHUNG-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.35
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide

N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide (PubChem CID 106132319) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
PubChem CID106132319
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCCC(Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17ClFNO/c15-12-3-1-2-10(8-12)9-17-14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,1-3,8-9H2,(H,17,18)
InChIKeyMEFVSHLAFFHUNG-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.35
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-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
CID 71090797
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114147636
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide (CID 106132319) is N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide is O=C(NCC1CCCC(Cl)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide?
The InChIKey is MEFVSHLAFFHUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-12-3-1-2-10(8-12)9-17-14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,1-3,8-9H2,(H,17,18).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide?
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 106132319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).