3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide

C17H19ClN2O2 — CID 94759047

IUPAC3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-4-12(10-15(16)19)5-9-17(21)20-11-13-2-6-14(18)7-3-13/h2-4,6-8,10H,5,9,11,19H2,1H3,(H,20,21)
InChIKeyLLSUKRZJDZVGAN-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.18
Rot. Bonds6

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

3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 94759047) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID94759047
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-4-12(10-15(16)19)5-9-17(21)20-11-13-2-6-14(18)7-3-13/h2-4,6-8,10H,5,9,11,19H2,1H3,(H,20,21)
InChIKeyLLSUKRZJDZVGAN-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
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3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
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N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide (CID 94759047) is 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is LLSUKRZJDZVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-8-4-12(10-15(16)19)5-9-17(21)20-11-13-2-6-14(18)7-3-13/h2-4,6-8,10H,5,9,11,19H2,1H3,(H,20,21).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 318.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 94759047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).