N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide

C17H17ClN2O3 — CID 108952893

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-8-14(15(23-2)9-13(11)18)20-17(22)10-16(21)19-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMGLIDLKCBCPLJH-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.62
Rot. Bonds5

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide (PubChem CID 108952893) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
PubChem CID108952893
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-8-14(15(23-2)9-13(11)18)20-17(22)10-16(21)19-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMGLIDLKCBCPLJH-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108956910
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide (CID 108952893) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide is COc1cc(Cl)c(C)cc1NC(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide?
The InChIKey is MGLIDLKCBCPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-8-14(15(23-2)9-13(11)18)20-17(22)10-16(21)19-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide has a molecular weight of 332.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide is sourced from PubChem (CID 108952893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).