N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide

C19H19Cl2N3O2 — CID 126267690

IUPACN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C\c1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13-15(20)8-4-9-17(13)23-18(25)10-5-11-19(26)24-22-12-14-6-2-3-7-16(14)21/h2-4,6-9,12H,5,10-11H2,1H3,(H,23,25)(H,24,26)/b22-12-
InChIKeyCPMNYTALBHGGHN-UUYOSTAYSA-N
MW392.29 g/mol
LogP4.56
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide

N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide (PubChem CID 126267690) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
PubChem CID126267690
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C\c1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13-15(20)8-4-9-17(13)23-18(25)10-5-11-19(26)24-22-12-14-6-2-3-7-16(14)21/h2-4,6-9,12H,5,10-11H2,1H3,(H,23,25)(H,24,26)/b22-12-
InChIKeyCPMNYTALBHGGHN-UUYOSTAYSA-N
XLogP4.56
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide
CID 171145791
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
N-butyl-N'-[(Z)-[2-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 40974885
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide (CID 126267690) is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide is Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C\c1ccccc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide?
The InChIKey is CPMNYTALBHGGHN-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-13-15(20)8-4-9-17(13)23-18(25)10-5-11-19(26)24-22-12-14-6-2-3-7-16(14)21/h2-4,6-9,12H,5,10-11H2,1H3,(H,23,25)(H,24,26)/b22-12-.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide?
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide has a molecular weight of 392.29 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 126267690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).