N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide

C28H23ClN2O4 — CID 4673369

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
SMILESO=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H23ClN2O4/c29-23-16-14-21(15-17-23)20-33-26-13-7-8-22(18-26)19-30-31-27(32)28(34-24-9-3-1-4-10-24)35-25-11-5-2-6-12-25/h1-19,28H,20H2,(H,31,32)
InChIKeySFHCMXDJZOZGAU-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.85
Rot. Bonds10

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide (PubChem CID 4673369) has the molecular formula C28H23ClN2O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
PubChem CID4673369
Molecular FormulaC28H23ClN2O4
Molecular Weight486.96 g/mol
Exact Mass486.13
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
SMILESO=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H23ClN2O4/c29-23-16-14-21(15-17-23)20-33-26-13-7-8-22(18-26)19-30-31-27(32)28(34-24-9-3-1-4-10-24)35-25-11-5-2-6-12-25/h1-19,28H,20H2,(H,31,32)
InChIKeySFHCMXDJZOZGAU-UHFFFAOYSA-N
XLogP5.85
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-diphenoxyacetamide
CID 6182256
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 3446462
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide (CID 4673369) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide is O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide?
The InChIKey is SFHCMXDJZOZGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O4/c29-23-16-14-21(15-17-23)20-33-26-13-7-8-22(18-26)19-30-31-27(32)28(34-24-9-3-1-4-10-24)35-25-11-5-2-6-12-25/h1-19,28H,20H2,(H,31,32).
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide has a molecular weight of 486.96 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide is sourced from PubChem (CID 4673369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).