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

C10H11Cl2NO — CID 17126907

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCCl)NCc1ccccc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-6-5-10(14)13-7-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,13,14)
InChIKeyUDCPSNFIOXHTMT-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.59
Rot. Bonds4

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

3-chloro-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 17126907) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID17126907
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCCl)NCc1ccccc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-6-5-10(14)13-7-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,13,14)
InChIKeyUDCPSNFIOXHTMT-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.59
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

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CID 43146071
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N-[(2-chlorophenyl)methyl]tetradecanamide
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N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
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4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
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3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
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3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
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N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
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CID 619799

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]propanamide (CID 17126907) is 3-chloro-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]propanamide is O=C(CCCl)NCc1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is UDCPSNFIOXHTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-6-5-10(14)13-7-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,13,14).
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]propanamide?
3-chloro-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 232.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 17126907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).