4-(chloromethyl)-N-(4-chlorophenyl)benzamide

C14H11Cl2NO — CID 43333316

IUPAC4-(chloromethyl)-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H11Cl2NO/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyVZOASVRLYPUBCO-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.33
Rot. Bonds3

About 4-(chloromethyl)-N-(4-chlorophenyl)benzamide

4-(chloromethyl)-N-(4-chlorophenyl)benzamide (PubChem CID 43333316) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-chlorophenyl)benzamide
PubChem CID43333316
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name4-(chloromethyl)-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H11Cl2NO/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyVZOASVRLYPUBCO-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.33
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

4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-chlorophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(4-chlorophenyl)benzamide (CID 43333316) is 4-(chloromethyl)-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(4-chlorophenyl)benzamide?
The InChIKey is VZOASVRLYPUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18).
What are the key properties of 4-(chloromethyl)-N-(4-chlorophenyl)benzamide?
4-(chloromethyl)-N-(4-chlorophenyl)benzamide has a molecular weight of 280.15 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 43333316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).