N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide

C14H17ClFNO — CID 114179591

IUPACN-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(F)cc1
InChIInChI=1S/C14H17ClFNO/c15-9-11-3-1-2-4-13(11)17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyWTCJZPJSBCZPDG-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.35
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide

N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide (PubChem CID 114179591) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
PubChem CID114179591
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(F)cc1
InChIInChI=1S/C14H17ClFNO/c15-9-11-3-1-2-4-13(11)17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyWTCJZPJSBCZPDG-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-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
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
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide (CID 114179591) is N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide is O=C(NC1CCCCC1CCl)c1ccc(F)cc1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide?
The InChIKey is WTCJZPJSBCZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-9-11-3-1-2-4-13(11)17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,1-4,9H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide?
N-[2-(chloromethyl)cyclohexyl]-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-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 114179591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).