N,N'-bis(3-chlorophenyl)pentanediamide

C17H16Cl2N2O2 — CID 1011389

IUPACN,N'-bis(3-chlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-4-1-6-14(10-12)20-16(22)8-3-9-17(23)21-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)(H,21,23)
InChIKeyKDZZOBWWDBTOOG-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.74
Rot. Bonds6

About N,N'-bis(3-chlorophenyl)pentanediamide

N,N'-bis(3-chlorophenyl)pentanediamide (PubChem CID 1011389) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N,N'-bis(3-chlorophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(3-chlorophenyl)pentanediamide
PubChem CID1011389
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN,N'-bis(3-chlorophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-4-1-6-14(10-12)20-16(22)8-3-9-17(23)21-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)(H,21,23)
InChIKeyKDZZOBWWDBTOOG-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-amino-N-(3-chlorophenyl)hexanamide
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CID 41273157
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
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N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
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3-(3-chloroanilino)-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chlorophenyl)pentanediamide?
The IUPAC name of N,N'-bis(3-chlorophenyl)pentanediamide (CID 1011389) is N,N'-bis(3-chlorophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(3-chlorophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(3-chlorophenyl)pentanediamide is O=C(CCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N,N'-bis(3-chlorophenyl)pentanediamide?
The InChIKey is KDZZOBWWDBTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-4-1-6-14(10-12)20-16(22)8-3-9-17(23)21-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(3-chlorophenyl)pentanediamide?
N,N'-bis(3-chlorophenyl)pentanediamide has a molecular weight of 351.23 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chlorophenyl)pentanediamide is sourced from PubChem (CID 1011389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).