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

C23H21ClN2O4 — CID 3617616

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-20-11-12-21(22(13-20)29-2)23(27)26-25-14-16-5-9-19(10-6-16)30-15-17-3-7-18(24)8-4-17/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyPOAYLJJIJRLYQR-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.70
Rot. Bonds8

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

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 3617616) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
PubChem CID3617616
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-20-11-12-21(22(13-20)29-2)23(27)26-25-14-16-5-9-19(10-6-16)30-15-17-3-7-18(24)8-4-17/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyPOAYLJJIJRLYQR-UHFFFAOYSA-N
XLogP4.70
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.70
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-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
methyl 2-[4-[(Z)-[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6246445
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6294964
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
4-[(4-chlorophenyl)methoxy]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3473992
4-[(4-chlorophenoxy)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 42992150
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
2,4-dimethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4218029

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (CID 3617616) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is POAYLJJIJRLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-28-20-11-12-21(22(13-20)29-2)23(27)26-25-14-16-5-9-19(10-6-16)30-15-17-3-7-18(24)8-4-17/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 424.88 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3617616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).