N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide

C17H16Cl2N2O3 — CID 55353185

IUPACN-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O3/c1-10(13-9-12(18)5-6-14(13)19)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10+
InChIKeyQHCFCHDEOSOOJP-KEBDBYFISA-N
MW367.23 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide

N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide (PubChem CID 55353185) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
PubChem CID55353185
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O3/c1-10(13-9-12(18)5-6-14(13)19)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10+
InChIKeyQHCFCHDEOSOOJP-KEBDBYFISA-N
XLogP4.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
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

N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3996338
3-(2,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4296248
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
N-(2,5-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 4097302
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide (CID 55353185) is N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is QHCFCHDEOSOOJP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10(13-9-12(18)5-6-14(13)19)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 367.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55353185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).