2,2-dichloro-N-(1-phenylethyl)acetamide

C10H11Cl2NO — CID 2841890

IUPAC2,2-dichloro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H11Cl2NO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)
InChIKeyOKVKOBMHKRIIOW-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.67
Rot. Bonds3

About 2,2-dichloro-N-(1-phenylethyl)acetamide

2,2-dichloro-N-(1-phenylethyl)acetamide (PubChem CID 2841890) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-phenylethyl)acetamide
PubChem CID2841890
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2,2-dichloro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H11Cl2NO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)
InChIKeyOKVKOBMHKRIIOW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
CID 129088961
2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
CID 2788217
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1-phenylethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(1-phenylethyl)acetamide (CID 2841890) is 2,2-dichloro-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(1-phenylethyl)acetamide is CC(NC(=O)C(Cl)Cl)c1ccccc1.
What is the InChIKey of 2,2-dichloro-N-(1-phenylethyl)acetamide?
The InChIKey is OKVKOBMHKRIIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14).
What are the key properties of 2,2-dichloro-N-(1-phenylethyl)acetamide?
2,2-dichloro-N-(1-phenylethyl)acetamide has a molecular weight of 232.11 g/mol, XLogP of 2.67, 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 2841890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).