3-chloro-N-[3-(propanoylamino)phenyl]propanamide

C12H15ClN2O2 — CID 61251232

IUPAC3-chloro-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C12H15ClN2O2/c1-2-11(16)14-9-4-3-5-10(8-9)15-12(17)6-7-13/h3-5,8H,2,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyYUFCFQCIGKIRRY-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.60
Rot. Bonds5

About 3-chloro-N-[3-(propanoylamino)phenyl]propanamide

3-chloro-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 61251232) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID61251232
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C12H15ClN2O2/c1-2-11(16)14-9-4-3-5-10(8-9)15-12(17)6-7-13/h3-5,8H,2,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyYUFCFQCIGKIRRY-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[3-(propanoylamino)phenyl]propanamide 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

N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
N-[3-(4-chlorobutylsulfonylamino)phenyl]propanamide
CID 116815957
N-(3-acetylphenyl)propanamide
CID 903063
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[3-(propanoylamino)phenyl]propanamide (CID 61251232) is 3-chloro-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is YUFCFQCIGKIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-11(16)14-9-4-3-5-10(8-9)15-12(17)6-7-13/h3-5,8H,2,6-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-[3-(propanoylamino)phenyl]propanamide?
3-chloro-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 254.72 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 61251232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).