4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide

C14H10Cl3NO2 — CID 107679537

IUPAC4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-7-8-1-3-9(4-2-8)14(20)18-10-5-11(16)13(19)12(17)6-10/h1-6,19H,7H2,(H,18,20)
InChIKeyQBWKPRWHVWZVCJ-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.69
Rot. Bonds3

About 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide

4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide (PubChem CID 107679537) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
PubChem CID107679537
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(CCl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-7-8-1-3-9(4-2-8)14(20)18-10-5-11(16)13(19)12(17)6-10/h1-6,19H,7H2,(H,18,20)
InChIKeyQBWKPRWHVWZVCJ-UHFFFAOYSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.69
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

4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 169122474
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide (CID 107679537) is 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The InChIKey is QBWKPRWHVWZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c15-7-8-1-3-9(4-2-8)14(20)18-10-5-11(16)13(19)12(17)6-10/h1-6,19H,7H2,(H,18,20).
What are the key properties of 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide has a molecular weight of 330.60 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 107679537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).