N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide

C14H18ClNO — CID 114298121

IUPACN-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1CCl)C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyOUKNJOYTEIKRGF-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.94
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide

N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 114298121) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
PubChem CID114298121
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1CCl)C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyOUKNJOYTEIKRGF-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.94
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-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-[2-(chloromethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622765
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
CID 8000921

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide (CID 114298121) is N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccccc1CCl)C1CCCCC1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is OUKNJOYTEIKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-10-12-8-4-5-9-13(12)16-14(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide?
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 251.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 114298121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).