N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide

C22H19ClN2O3 — CID 1274166

IUPACN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-11-7-18(8-12-20)22(26)25-24-14-16-5-9-21(10-6-16)28-15-17-3-2-4-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyQBUCJXFIQSXZOI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.69
Rot. Bonds7

About N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide (PubChem CID 1274166) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
PubChem CID1274166
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-11-7-18(8-12-20)22(26)25-24-14-16-5-9-21(10-6-16)28-15-17-3-2-4-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyQBUCJXFIQSXZOI-UHFFFAOYSA-N
XLogP4.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.69
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-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6279107
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide
CID 94838632
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 112537999
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 110506034
2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126331077

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide (CID 1274166) is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide?
The InChIKey is QBUCJXFIQSXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-27-20-11-7-18(8-12-20)22(26)25-24-14-16-5-9-21(10-6-16)28-15-17-3-2-4-19(23)13-17/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide?
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide has a molecular weight of 394.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 1274166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).