N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide

C14H17ClFNO2 — CID 106366865

IUPACN-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(F)cc1O
InChIInChI=1S/C14H17ClFNO2/c15-8-9-3-1-2-4-12(9)17-14(19)11-6-5-10(16)7-13(11)18/h5-7,9,12,18H,1-4,8H2,(H,17,19)
InChIKeyFDVSQZRPGAVQHS-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.06
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide

N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 106366865) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
PubChem CID106366865
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(F)cc1O
InChIInChI=1S/C14H17ClFNO2/c15-8-9-3-1-2-4-12(9)17-14(19)11-6-5-10(16)7-13(11)18/h5-7,9,12,18H,1-4,8H2,(H,17,19)
InChIKeyFDVSQZRPGAVQHS-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide (CID 106366865) is N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide is O=C(NC1CCCCC1CCl)c1ccc(F)cc1O.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is FDVSQZRPGAVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-8-9-3-1-2-4-12(9)17-14(19)11-6-5-10(16)7-13(11)18/h5-7,9,12,18H,1-4,8H2,(H,17,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide?
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 285.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 106366865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).