3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide

C22H17Cl2N3O2 — CID 6010239

IUPAC3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2N3O2/c1-14(26-27-22(29)17-5-2-6-19(24)12-17)16-4-3-7-20(13-16)25-21(28)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-
InChIKeyIPNGQBUFIBHHLR-WGARJPEWSA-N
MW426.30 g/mol
LogP5.40
Rot. Bonds5

About 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide

3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 6010239) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID6010239
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2N3O2/c1-14(26-27-22(29)17-5-2-6-19(24)12-17)16-4-3-7-20(13-16)25-21(28)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-
InChIKeyIPNGQBUFIBHHLR-WGARJPEWSA-N
XLogP5.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.40
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

3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
CID 4185581
3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 86809585
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032132
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709
3-chloro-N-[3-[(Z)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]benzamide
CID 126147743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide (CID 6010239) is 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is IPNGQBUFIBHHLR-WGARJPEWSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-14(26-27-22(29)17-5-2-6-19(24)12-17)16-4-3-7-20(13-16)25-21(28)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-.
What are the key properties of 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 426.30 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6010239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).