N,N'-bis(2,3-dichlorophenyl)dodecanediamide

C24H28Cl4N2O2 — CID 3641487

IUPACN,N'-bis(2,3-dichlorophenyl)dodecanediamide
SMILESO=C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H28Cl4N2O2/c25-17-11-9-13-19(23(17)27)29-21(31)15-7-5-3-1-2-4-6-8-16-22(32)30-20-14-10-12-18(26)24(20)28/h9-14H,1-8,15-16H2,(H,29,31)(H,30,32)
InChIKeyALZOPHPFIYXRIE-UHFFFAOYSA-N
MW518.31 g/mol
LogP8.78
Rot. Bonds13

About N,N'-bis(2,3-dichlorophenyl)dodecanediamide

N,N'-bis(2,3-dichlorophenyl)dodecanediamide (PubChem CID 3641487) has the molecular formula C24H28Cl4N2O2 and a molecular weight of 518.31 g/mol. Its IUPAC name is N,N'-bis(2,3-dichlorophenyl)dodecanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3-dichlorophenyl)dodecanediamide
PubChem CID3641487
Molecular FormulaC24H28Cl4N2O2
Molecular Weight518.31 g/mol
Exact Mass516.09
IUPAC NameN,N'-bis(2,3-dichlorophenyl)dodecanediamide
SMILESO=C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H28Cl4N2O2/c25-17-11-9-13-19(23(17)27)29-21(31)15-7-5-3-1-2-4-6-8-16-22(32)30-20-14-10-12-18(26)24(20)28/h9-14H,1-8,15-16H2,(H,29,31)(H,30,32)
InChIKeyALZOPHPFIYXRIE-UHFFFAOYSA-N
XLogP8.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.31
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110298279
N-(2-chlorophenyl)hexanamide
CID 4644560
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dichlorophenyl)dodecanediamide?
The IUPAC name of N,N'-bis(2,3-dichlorophenyl)dodecanediamide (CID 3641487) is N,N'-bis(2,3-dichlorophenyl)dodecanediamide.
What is the SMILES notation for N,N'-bis(2,3-dichlorophenyl)dodecanediamide?
The canonical SMILES for N,N'-bis(2,3-dichlorophenyl)dodecanediamide is O=C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N,N'-bis(2,3-dichlorophenyl)dodecanediamide?
The InChIKey is ALZOPHPFIYXRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl4N2O2/c25-17-11-9-13-19(23(17)27)29-21(31)15-7-5-3-1-2-4-6-8-16-22(32)30-20-14-10-12-18(26)24(20)28/h9-14H,1-8,15-16H2,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2,3-dichlorophenyl)dodecanediamide?
N,N'-bis(2,3-dichlorophenyl)dodecanediamide has a molecular weight of 518.31 g/mol, XLogP of 8.78, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dichlorophenyl)dodecanediamide is sourced from PubChem (CID 3641487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).