4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

C25H19ClN2O2 — CID 94847929

IUPAC4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O2/c26-22-13-11-20(12-14-22)25(29)28-27-16-18-5-3-9-23(15-18)30-17-21-8-4-7-19-6-1-2-10-24(19)21/h1-16H,17H2,(H,28,29)/b27-16-
InChIKeyQUXWTFZLZVWTSU-YUMHPJSZSA-N
MW414.89 g/mol
LogP5.84
Rot. Bonds6

About 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 94847929) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID94847929
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O2/c26-22-13-11-20(12-14-22)25(29)28-27-16-18-5-3-9-23(15-18)30-17-21-8-4-7-19-6-1-2-10-24(19)21/h1-16H,17H2,(H,28,29)/b27-16-
InChIKeyQUXWTFZLZVWTSU-YUMHPJSZSA-N
XLogP5.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126370728
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (CID 94847929) is 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is QUXWTFZLZVWTSU-YUMHPJSZSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c26-22-13-11-20(12-14-22)25(29)28-27-16-18-5-3-9-23(15-18)30-17-21-8-4-7-19-6-1-2-10-24(19)21/h1-16H,17H2,(H,28,29)/b27-16-.
What are the key properties of 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 414.89 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 94847929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).