N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

C18H18Cl2N2O3 — CID 108948741

IUPACN'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-18(24)22-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyQVDVUNQQQONOKG-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.69
Rot. Bonds7

About N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948741) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108948741
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-18(24)22-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyQVDVUNQQQONOKG-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.69
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

3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977692
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108948741) is N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is COc1cccc(CCNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is QVDVUNQQQONOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-18(24)22-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 381.26 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).