3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide

C17H19ClN2O2 — CID 24561175

IUPAC3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-6-15(7-9-16)20(11-10-17(19)21)12-13-2-4-14(18)5-3-13/h2-9H,10-12H2,1H3,(H2,19,21)
InChIKeyPJSUSIUAIJNOSJ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.23
Rot. Bonds7

About 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide

3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide (PubChem CID 24561175) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide.

Molecular Properties

Compound Name3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
PubChem CID24561175
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-6-15(7-9-16)20(11-10-17(19)21)12-13-2-4-14(18)5-3-13/h2-9H,10-12H2,1H3,(H2,19,21)
InChIKeyPJSUSIUAIJNOSJ-UHFFFAOYSA-N
XLogP3.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]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

2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
CID 18131479
3-[N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methoxyanilino]propanamide
CID 16576313
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide?
The IUPAC name of 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide (CID 24561175) is 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide.
What is the SMILES notation for 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide?
The canonical SMILES for 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide is COc1ccc(N(CCC(N)=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide?
The InChIKey is PJSUSIUAIJNOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-8-6-15(7-9-16)20(11-10-17(19)21)12-13-2-4-14(18)5-3-13/h2-9H,10-12H2,1H3,(H2,19,21).
What are the key properties of 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide?
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide has a molecular weight of 318.80 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide is sourced from PubChem (CID 24561175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).