3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide

C12H13Cl2NO — CID 115637010

IUPAC3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8H2,(H,15,16)
InChIKeyZVELIYWLJVAJLG-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.14
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide

3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide (PubChem CID 115637010) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
PubChem CID115637010
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8H2,(H,15,16)
InChIKeyZVELIYWLJVAJLG-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 107273388
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
N-(2-chloroprop-2-enyl)-2-(2,6-dichlorophenyl)acetamide
CID 115636770
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide (CID 115637010) is 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide is C=C(Cl)CNC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The InChIKey is ZVELIYWLJVAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8H2,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide?
3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide has a molecular weight of 258.15 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide is sourced from PubChem (CID 115637010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).