2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide

C14H10Cl3NO — CID 114298395

IUPAC2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-6-5-10(16)7-12(11)17/h1-7H,8H2,(H,18,19)
InChIKeyRJMYYKQGXFXRNG-UHFFFAOYSA-N
MW314.60 g/mol
LogP4.98
Rot. Bonds3

About 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide

2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide (PubChem CID 114298395) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
PubChem CID114298395
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-6-5-10(16)7-12(11)17/h1-7H,8H2,(H,18,19)
InChIKeyRJMYYKQGXFXRNG-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'}

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Related Compounds

4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
CID 113271900
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide (CID 114298395) is 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide is O=C(Nc1ccccc1CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide?
The InChIKey is RJMYYKQGXFXRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c15-8-9-3-1-2-4-13(9)18-14(19)11-6-5-10(16)7-12(11)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide?
2,4-dichloro-N-[2-(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 2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 114298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).