2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide

C12H14Cl2N2O2 — CID 54964405

IUPAC2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14Cl2N2O2/c1-7(13)11(17)16-12(18)15-8(2)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyVUXLADZNQUWDQQ-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide

2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide (PubChem CID 54964405) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide
PubChem CID54964405
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14Cl2N2O2/c1-7(13)11(17)16-12(18)15-8(2)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyVUXLADZNQUWDQQ-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873
(2S,3R)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966036
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
CID 10750570
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide (CID 54964405) is 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide?
The InChIKey is VUXLADZNQUWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7(13)11(17)16-12(18)15-8(2)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide?
2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide has a molecular weight of 289.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide is sourced from PubChem (CID 54964405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).