3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide

C14H12ClNO2 — CID 43477757

IUPAC3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(CCl)c1
InChIInChI=1S/C14H12ClNO2/c15-9-10-2-1-3-11(8-10)14(18)16-12-4-6-13(17)7-5-12/h1-8,17H,9H2,(H,16,18)
InChIKeyYJZQCLYVFGBBCO-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.38
Rot. Bonds3

About 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide

3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide (PubChem CID 43477757) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
PubChem CID43477757
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(CCl)c1
InChIInChI=1S/C14H12ClNO2/c15-9-10-2-1-3-11(8-10)14(18)16-12-4-6-13(17)7-5-12/h1-8,17H,9H2,(H,16,18)
InChIKeyYJZQCLYVFGBBCO-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide (CID 43477757) is 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide?
The InChIKey is YJZQCLYVFGBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-9-10-2-1-3-11(8-10)14(18)16-12-4-6-13(17)7-5-12/h1-8,17H,9H2,(H,16,18).
What are the key properties of 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide?
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 43477757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).