4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide

C15H13Cl2NO — CID 113397345

IUPAC4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(CCl)c2)ccc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-10-7-12(5-6-14(10)17)15(19)18-13-4-2-3-11(8-13)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAYVFZYSUCJYERF-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide

4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide (PubChem CID 113397345) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
PubChem CID113397345
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(CCl)c2)ccc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-10-7-12(5-6-14(10)17)15(19)18-13-4-2-3-11(8-13)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAYVFZYSUCJYERF-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.64
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

3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
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-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
N-[3-(chloromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114293190
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide (CID 113397345) is 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(CCl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide?
The InChIKey is AYVFZYSUCJYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-7-12(5-6-14(10)17)15(19)18-13-4-2-3-11(8-13)9-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide?
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide has a molecular weight of 294.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 113397345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).