N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C23H22ClN3O6 — CID 46502328

IUPACN-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C23H22ClN3O6/c1-30-19-10-15(11-20(31-2)22(19)32-3)23(29)25-13-21(28)27-26-12-17-8-9-18(33-17)14-4-6-16(24)7-5-14/h4-12H,13H2,1-3H3,(H,25,29)(H,27,28)/b26-12+
InChIKeyCQOZNSAAQPAYOI-RPPGKUMJSA-N
MW471.90 g/mol
LogP3.51
Rot. Bonds9

About N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 46502328) has the molecular formula C23H22ClN3O6 and a molecular weight of 471.90 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID46502328
Molecular FormulaC23H22ClN3O6
Molecular Weight471.90 g/mol
Exact Mass471.12
IUPAC NameN-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C23H22ClN3O6/c1-30-19-10-15(11-20(31-2)22(19)32-3)23(29)25-13-21(28)27-26-12-17-8-9-18(33-17)14-4-6-16(24)7-5-14/h4-12H,13H2,1-3H3,(H,25,29)(H,27,28)/b26-12+
InChIKeyCQOZNSAAQPAYOI-RPPGKUMJSA-N
XLogP3.51
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[(2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 16760826
3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide
CID 3342821
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 4023781
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6109398
3,4,5-trimethoxy-N-[2-[(2Z)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6083724
[4-bromo-2-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3748834
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 135648147
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126182695

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 46502328) is N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is CQOZNSAAQPAYOI-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H22ClN3O6/c1-30-19-10-15(11-20(31-2)22(19)32-3)23(29)25-13-21(28)27-26-12-17-8-9-18(33-17)14-4-6-16(24)7-5-14/h4-12H,13H2,1-3H3,(H,25,29)(H,27,28)/b26-12+.
What are the key properties of N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 471.90 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46502328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).