[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate

C30H26ClN3O7 — CID 4319339

IUPAC[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESCOc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C30H26ClN3O7/c1-38-25-14-19(15-26(39-2)28(25)40-3)29(36)32-17-27(35)34-33-16-22-20-9-5-4-8-18(20)12-13-24(22)41-30(37)21-10-6-7-11-23(21)31/h4-16H,17H2,1-3H3,(H,32,36)(H,34,35)
InChIKeyLRYPLDQJHBHPBB-UHFFFAOYSA-N
MW576.01 g/mol
LogP4.62
Rot. Bonds10

About [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate

[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (PubChem CID 4319339) has the molecular formula C30H26ClN3O7 and a molecular weight of 576.01 g/mol. Its IUPAC name is [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
PubChem CID4319339
Molecular FormulaC30H26ClN3O7
Molecular Weight576.01 g/mol
Exact Mass575.15
IUPAC Name[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESCOc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C30H26ClN3O7/c1-38-25-14-19(15-26(39-2)28(25)40-3)29(36)32-17-27(35)34-33-16-22-20-9-5-4-8-18(20)12-13-24(22)41-30(37)21-10-6-7-11-23(21)31/h4-16H,17H2,1-3H3,(H,32,36)(H,34,35)
InChIKeyLRYPLDQJHBHPBB-UHFFFAOYSA-N
XLogP4.62
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.01
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[1-[[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3725273
[1-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6247941
[1-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3574672
[1-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6290082
[4-bromo-2-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3829327
[1-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3845692
[1-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3760583
[1-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 6074751
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 4023781
[1-[[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3493136
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
2-chloro-N-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6007933

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (CID 4319339) is [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is COc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The InChIKey is LRYPLDQJHBHPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O7/c1-38-25-14-19(15-26(39-2)28(25)40-3)29(36)32-17-27(35)34-33-16-22-20-9-5-4-8-18(20)12-13-24(22)41-30(37)21-10-6-7-11-23(21)31/h4-16H,17H2,1-3H3,(H,32,36)(H,34,35).
What are the key properties of [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
[1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate has a molecular weight of 576.01 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 4319339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).