N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide

C15H12Cl3NO — CID 114293210

IUPACN-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(CCl)c1
InChIInChI=1S/C15H12Cl3NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20)
InChIKeyHAVXLMADMJTPFO-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.91
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide

N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 114293210) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID114293210
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC NameN-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(CCl)c1
InChIInChI=1S/C15H12Cl3NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20)
InChIKeyHAVXLMADMJTPFO-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.91
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-chlorophenyl)acetamide
CID 113270904
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
2-(3,4-dichlorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 7927552
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide (CID 114293210) is N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(CCl)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is HAVXLMADMJTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 328.63 g/mol, XLogP of 4.91, 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-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 114293210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).