N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide

C28H23ClN2O3 — CID 19657769

IUPACN-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2Cl)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23ClN2O3/c29-26-15-6-4-12-23(26)20-33-24-13-8-11-22(17-24)18-30-31-28(32)25-14-5-7-16-27(25)34-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,31,32)/b30-18-
InChIKeyDTZKXDSVHZEJHQ-YKQZZPSBSA-N
MW470.96 g/mol
LogP6.26
Rot. Bonds9

About N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657769) has the molecular formula C28H23ClN2O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657769
Molecular FormulaC28H23ClN2O3
Molecular Weight470.96 g/mol
Exact Mass470.14
IUPAC NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2Cl)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23ClN2O3/c29-26-15-6-4-12-23(26)20-33-24-13-8-11-22(17-24)18-30-31-28(32)25-14-5-7-16-27(25)34-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,31,32)/b30-18-
InChIKeyDTZKXDSVHZEJHQ-YKQZZPSBSA-N
XLogP6.26
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 56.26
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)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126321572
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide (CID 19657769) is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C\c1cccc(OCc2ccccc2Cl)c1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is DTZKXDSVHZEJHQ-YKQZZPSBSA-N. The full InChI is InChI=1S/C28H23ClN2O3/c29-26-15-6-4-12-23(26)20-33-24-13-8-11-22(17-24)18-30-31-28(32)25-14-5-7-16-27(25)34-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,31,32)/b30-18-.
What are the key properties of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 470.96 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).