3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide

C11H12Cl2N2O2 — CID 43146071

IUPAC3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-6-5-10(16)15-11(17)14-7-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H2,14,15,16,17)
InChIKeyCOYOBLRXKWWJDP-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.29
Rot. Bonds4

About 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide

3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide (PubChem CID 43146071) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
PubChem CID43146071
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-6-5-10(16)15-11(17)14-7-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H2,14,15,16,17)
InChIKeyCOYOBLRXKWWJDP-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.29
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

3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
4-[(2-chlorophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300170
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
CID 61414332
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide (CID 43146071) is 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide is O=C(CCCl)NC(=O)NCc1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide?
The InChIKey is COYOBLRXKWWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-6-5-10(16)15-11(17)14-7-8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H2,14,15,16,17).
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide?
3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide has a molecular weight of 275.13 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide is sourced from PubChem (CID 43146071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).