3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide

C19H23ClN2O2 — CID 120611024

IUPAC3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)CCc1ccccc1N
InChIInChI=1S/C19H23ClN2O2/c1-13(19(24-2)15-7-10-16(20)11-8-15)22-18(23)12-9-14-5-3-4-6-17(14)21/h3-8,10-11,13,19H,9,12,21H2,1-2H3,(H,22,23)
InChIKeyLYSIZVQWVCRPJC-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.75
Rot. Bonds7

About 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide

3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide (PubChem CID 120611024) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
PubChem CID120611024
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)CCc1ccccc1N
InChIInChI=1S/C19H23ClN2O2/c1-13(19(24-2)15-7-10-16(20)11-8-15)22-18(23)12-9-14-5-3-4-6-17(14)21/h3-8,10-11,13,19H,9,12,21H2,1-2H3,(H,22,23)
InChIKeyLYSIZVQWVCRPJC-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.75
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

methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]amino]-3-oxopropyl]benzoic acid
CID 120552490
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119794046
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide (CID 120611024) is 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide is COC(c1ccc(Cl)cc1)C(C)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide?
The InChIKey is LYSIZVQWVCRPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(19(24-2)15-7-10-16(20)11-8-15)22-18(23)12-9-14-5-3-4-6-17(14)21/h3-8,10-11,13,19H,9,12,21H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide?
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 120611024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).