N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide

C11H12Cl2N2O2 — CID 43167983

IUPACN-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-7(16)14-10-3-2-8(6-9(10)13)15-11(17)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyCOZWMIDGKWVLQN-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.87
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide

N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide (PubChem CID 43167983) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
PubChem CID43167983
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-7(16)14-10-3-2-8(6-9(10)13)15-11(17)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyCOZWMIDGKWVLQN-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
4-(3-acetamido-4-chloroanilino)-4-oxobutanoic acid
CID 881020
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
N-(4-acetamido-3-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 60720174
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide (CID 43167983) is N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide is CC(=O)Nc1ccc(NC(=O)CCCl)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide?
The InChIKey is COZWMIDGKWVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-7(16)14-10-3-2-8(6-9(10)13)15-11(17)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide?
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide has a molecular weight of 275.13 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide is sourced from PubChem (CID 43167983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).