N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide

C18H16Cl3N3O2 — CID 6115400

IUPACN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c1-11-14(20)3-2-4-16(11)23-17(25)7-8-18(26)24-22-10-12-5-6-13(19)9-15(12)21/h2-6,9-10H,7-8H2,1H3,(H,23,25)(H,24,26)/b22-10-
InChIKeyKZNIXHGNZPEIFR-YVNNLAQVSA-N
MW412.70 g/mol
LogP4.82
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide

N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide (PubChem CID 6115400) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
PubChem CID6115400
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c1-11-14(20)3-2-4-16(11)23-17(25)7-8-18(26)24-22-10-12-5-6-13(19)9-15(12)21/h2-6,9-10H,7-8H2,1H3,(H,23,25)(H,24,26)/b22-10-
InChIKeyKZNIXHGNZPEIFR-YVNNLAQVSA-N
XLogP4.82
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.82
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-chlorophenyl)methylideneamino]pentanediamide
CID 126267690
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870236
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6277415
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide (CID 6115400) is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide?
The InChIKey is KZNIXHGNZPEIFR-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c1-11-14(20)3-2-4-16(11)23-17(25)7-8-18(26)24-22-10-12-5-6-13(19)9-15(12)21/h2-6,9-10H,7-8H2,1H3,(H,23,25)(H,24,26)/b22-10-.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide?
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide has a molecular weight of 412.70 g/mol, XLogP of 4.82, 6 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)-(2,4-dichlorophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 6115400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).