N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide

C19H18Cl4N2O2 — CID 6610958

IUPACN,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl4N2O2/c1-19(2,18(27)25-16-6-4-12(21)10-14(16)23)8-7-17(26)24-15-5-3-11(20)9-13(15)22/h3-6,9-10H,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYCNVYKPSUMSCMR-UHFFFAOYSA-N
MW448.18 g/mol
LogP6.68
Rot. Bonds6

About N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide

N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide (PubChem CID 6610958) has the molecular formula C19H18Cl4N2O2 and a molecular weight of 448.18 g/mol. Its IUPAC name is N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
PubChem CID6610958
Molecular FormulaC19H18Cl4N2O2
Molecular Weight448.18 g/mol
Exact Mass446.01
IUPAC NameN,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
SMILESCC(C)(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl4N2O2/c1-19(2,18(27)25-16-6-4-12(21)10-14(16)23)8-7-17(26)24-15-5-3-11(20)9-13(15)22/h3-6,9-10H,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYCNVYKPSUMSCMR-UHFFFAOYSA-N
XLogP6.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.18
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide?
The IUPAC name of N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide (CID 6610958) is N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide.
What is the SMILES notation for N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide?
The canonical SMILES for N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide is CC(C)(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide?
The InChIKey is YCNVYKPSUMSCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl4N2O2/c1-19(2,18(27)25-16-6-4-12(21)10-14(16)23)8-7-17(26)24-15-5-3-11(20)9-13(15)22/h3-6,9-10H,7-8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide?
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide has a molecular weight of 448.18 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide is sourced from PubChem (CID 6610958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).