2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide

C9H8Cl3NO — CID 3460813

IUPAC2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl3NO/c10-4-9(14)13-5-6-1-2-7(11)8(12)3-6/h1-3H,4-5H2,(H,13,14)
InChIKeyPJMJMKONEFOACK-UHFFFAOYSA-N
MW252.53 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide

2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 3460813) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID3460813
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl3NO/c10-4-9(14)13-5-6-1-2-7(11)8(12)3-6/h1-3H,4-5H2,(H,13,14)
InChIKeyPJMJMKONEFOACK-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 52.85
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-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
CID 166415827
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 59363230
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4159508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 3460813) is 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(CCl)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is PJMJMKONEFOACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c10-4-9(14)13-5-6-1-2-7(11)8(12)3-6/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 252.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 3460813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).