2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide

C10H11Cl2NO — CID 3764710

IUPAC2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1cccc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyIPGDMBWEYHBLRL-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide

2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 3764710) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
PubChem CID3764710
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1cccc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyIPGDMBWEYHBLRL-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 94090708
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[1-[3-(aminomethyl)phenyl]ethyl]-2-chloroacetamide
CID 165440691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide (CID 3764710) is 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide is CC(NC(=O)CCl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is IPGDMBWEYHBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide?
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 232.11 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 3764710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).