2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide

C10H11Cl2NO — CID 3659173

IUPAC2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7-2-4-8(5-3-7)6-13-10(14)9(11)12/h2-5,9H,6H2,1H3,(H,13,14)
InChIKeyKNRAYXLYIWEPAJ-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.41
Rot. Bonds3

About 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide

2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3659173) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3659173
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7-2-4-8(5-3-7)6-13-10(14)9(11)12/h2-5,9H,6H2,1H3,(H,13,14)
InChIKeyKNRAYXLYIWEPAJ-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.41
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,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
CID 163846393
CID 163846393
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2-[ethyl(2-hydroxyethyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 110881331
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide
CID 71443799
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide (CID 3659173) is 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KNRAYXLYIWEPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7-2-4-8(5-3-7)6-13-10(14)9(11)12/h2-5,9H,6H2,1H3,(H,13,14).
What are the key properties of 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide?
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 232.11 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3659173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).