N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide

C15H13Cl2NO — CID 113270904

IUPACN-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cccc(CCl)c1
InChIInChI=1S/C15H13Cl2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1-8H,9-10H2,(H,18,19)
InChIKeyZVLDPXFNGWZHCP-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.26
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide

N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide (PubChem CID 113270904) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
PubChem CID113270904
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC NameN-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cccc(CCl)c1
InChIInChI=1S/C15H13Cl2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1-8H,9-10H2,(H,18,19)
InChIKeyZVLDPXFNGWZHCP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.26
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

N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 76945550

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide (CID 113270904) is N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1cccc(CCl)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is ZVLDPXFNGWZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide?
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 294.18 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 113270904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).