N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide

C19H20Cl2N2O2 — CID 108954677

IUPACN-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
SMILESCC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-7-4-5-10-15(12)22-16(24)11-17(25)23-18-13(20)8-6-9-14(18)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYQFHZXDEGSHHSE-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.26
Rot. Bonds4

About N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide

N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide (PubChem CID 108954677) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
PubChem CID108954677
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
SMILESCC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-7-4-5-10-15(12)22-16(24)11-17(25)23-18-13(20)8-6-9-14(18)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYQFHZXDEGSHHSE-UHFFFAOYSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.26
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

N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide (CID 108954677) is N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide is CC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The InChIKey is YQFHZXDEGSHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-7-4-5-10-15(12)22-16(24)11-17(25)23-18-13(20)8-6-9-14(18)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide has a molecular weight of 379.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide is sourced from PubChem (CID 108954677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).