N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide

C18H18Cl2N2O2 — CID 108954400

IUPACN'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)12-3-5-13(6-4-12)21-17(23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTFNIJJRGTZTIK-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.08
Rot. Bonds5

About N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide

N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108954400) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
PubChem CID108954400
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)12-3-5-13(6-4-12)21-17(23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTFNIJJRGTZTIK-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide (CID 108954400) is N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide is CC(C)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is STFNIJJRGTZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11(2)12-3-5-13(6-4-12)21-17(23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 365.26 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).