N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide

C22H19ClN2O3 — CID 126085873

IUPACN-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccccc2COc2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-10-4-8-16(12-20)22(26)25-24-14-17-6-2-3-7-18(17)15-28-21-11-5-9-19(23)13-21/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyGJWHAIHIJIHKCP-OYKKKHCWSA-N
MW394.86 g/mol
LogP4.69
Rot. Bonds7

About N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide

N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126085873) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126085873
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccccc2COc2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-10-4-8-16(12-20)22(26)25-24-14-17-6-2-3-7-18(17)15-28-21-11-5-9-19(23)13-21/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeyGJWHAIHIJIHKCP-OYKKKHCWSA-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)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 126273932
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 110506034
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide (CID 126085873) is N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C\c2ccccc2COc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is GJWHAIHIJIHKCP-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-27-20-10-4-8-16(12-20)22(26)25-24-14-17-6-2-3-7-18(17)15-28-21-11-5-9-19(23)13-21/h2-14H,15H2,1H3,(H,25,26)/b24-14-.
What are the key properties of N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide?
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-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-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126085873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).