3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide

C14H10Cl3NO — CID 114293273

IUPAC3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyPNNKHTRMENJYJQ-UHFFFAOYSA-N
MW314.60 g/mol
LogP4.98
Rot. Bonds3

About 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide

3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide (PubChem CID 114293273) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
PubChem CID114293273
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyPNNKHTRMENJYJQ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide (CID 114293273) is 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide is O=C(Nc1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide?
The InChIKey is PNNKHTRMENJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19).
What are the key properties of 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide?
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide has a molecular weight of 314.60 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 114293273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).