N,N'-bis(2,6-dichlorophenyl)pentanediamide

C17H14Cl4N2O2 — CID 1291740

IUPACN,N'-bis(2,6-dichlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl4N2O2/c18-10-4-1-5-11(19)16(10)22-14(24)8-3-9-15(25)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2,(H,22,24)(H,23,25)
InChIKeyKFNAHLPPZJNBFZ-UHFFFAOYSA-N
MW420.12 g/mol
LogP6.05
Rot. Bonds6

About N,N'-bis(2,6-dichlorophenyl)pentanediamide

N,N'-bis(2,6-dichlorophenyl)pentanediamide (PubChem CID 1291740) has the molecular formula C17H14Cl4N2O2 and a molecular weight of 420.12 g/mol. Its IUPAC name is N,N'-bis(2,6-dichlorophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2,6-dichlorophenyl)pentanediamide
PubChem CID1291740
Molecular FormulaC17H14Cl4N2O2
Molecular Weight420.12 g/mol
Exact Mass417.98
IUPAC NameN,N'-bis(2,6-dichlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl4N2O2/c18-10-4-1-5-11(19)16(10)22-14(24)8-3-9-15(25)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2,(H,22,24)(H,23,25)
InChIKeyKFNAHLPPZJNBFZ-UHFFFAOYSA-N
XLogP6.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)decanamide
CID 3269237
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161
[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
CID 151379956
3-[3-(2,6-dichloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 43241674
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
CID 71973311
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dichlorophenyl)pentanediamide?
The IUPAC name of N,N'-bis(2,6-dichlorophenyl)pentanediamide (CID 1291740) is N,N'-bis(2,6-dichlorophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2,6-dichlorophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(2,6-dichlorophenyl)pentanediamide is O=C(CCCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N,N'-bis(2,6-dichlorophenyl)pentanediamide?
The InChIKey is KFNAHLPPZJNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl4N2O2/c18-10-4-1-5-11(19)16(10)22-14(24)8-3-9-15(25)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2,6-dichlorophenyl)pentanediamide?
N,N'-bis(2,6-dichlorophenyl)pentanediamide has a molecular weight of 420.12 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dichlorophenyl)pentanediamide is sourced from PubChem (CID 1291740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).