N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide

C30H27ClN2O4 — CID 126325115

IUPACN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C30H27ClN2O4/c1-2-35-29-18-23(16-17-28(29)36-20-22-10-4-3-5-11-22)30(34)33-32-19-24-12-7-9-15-27(24)37-21-25-13-6-8-14-26(25)31/h3-19H,2,20-21H2,1H3,(H,33,34)/b32-19+
InChIKeyZBTXBMVUCLQKLB-BIZUNTBRSA-N
MW515.01 g/mol
LogP6.66
Rot. Bonds11

About N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide

N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide (PubChem CID 126325115) has the molecular formula C30H27ClN2O4 and a molecular weight of 515.01 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
PubChem CID126325115
Molecular FormulaC30H27ClN2O4
Molecular Weight515.01 g/mol
Exact Mass514.17
IUPAC NameN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C30H27ClN2O4/c1-2-35-29-18-23(16-17-28(29)36-20-22-10-4-3-5-11-22)30(34)33-32-19-24-12-7-9-15-27(24)37-21-25-13-6-8-14-26(25)31/h3-19H,2,20-21H2,1H3,(H,33,34)/b32-19+
InChIKeyZBTXBMVUCLQKLB-BIZUNTBRSA-N
XLogP6.66
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.01
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126330906
3-ethoxy-N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126322808
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126328066
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 137068230
N-[(E)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126323235
3-ethoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 126324746
N-[(E)-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126334236
2-[4-bromo-2-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126324032
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
3-ethoxy-N-[(E)-[2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126385200

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide (CID 126325115) is N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide is CCOc1cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide?
The InChIKey is ZBTXBMVUCLQKLB-BIZUNTBRSA-N. The full InChI is InChI=1S/C30H27ClN2O4/c1-2-35-29-18-23(16-17-28(29)36-20-22-10-4-3-5-11-22)30(34)33-32-19-24-12-7-9-15-27(24)37-21-25-13-6-8-14-26(25)31/h3-19H,2,20-21H2,1H3,(H,33,34)/b32-19+.
What are the key properties of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide?
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide has a molecular weight of 515.01 g/mol, XLogP of 6.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 126325115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).