4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

C23H20ClN3O3 — CID 4633062

IUPAC4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-15(16-7-13-21(30-2)14-8-16)26-27-23(29)18-5-11-20(12-6-18)25-22(28)17-3-9-19(24)10-4-17/h3-14H,1-2H3,(H,25,28)(H,27,29)
InChIKeySXHDRHLIRCMGGQ-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.75
Rot. Bonds6

About 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 4633062) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
PubChem CID4633062
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-15(16-7-13-21(30-2)14-8-16)26-27-23(29)18-5-11-20(12-6-18)25-22(28)17-3-9-19(24)10-4-17/h3-14H,1-2H3,(H,25,28)(H,27,29)
InChIKeySXHDRHLIRCMGGQ-UHFFFAOYSA-N
XLogP4.75
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (CID 4633062) is 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is SXHDRHLIRCMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-15(16-7-13-21(30-2)14-8-16)26-27-23(29)18-5-11-20(12-6-18)25-22(28)17-3-9-19(24)10-4-17/h3-14H,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 421.88 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).