4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide

C25H18ClIN2O2 — CID 126198104

IUPAC4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClIN2O2/c26-22-10-8-20(9-11-22)25(30)29-28-15-17-6-12-24(23(27)14-17)31-16-18-5-7-19-3-1-2-4-21(19)13-18/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyPICSOSPJQLOUBW-MBTHVWNTSA-N
MW540.79 g/mol
LogP6.44
Rot. Bonds6

About 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide

4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 126198104) has the molecular formula C25H18ClIN2O2 and a molecular weight of 540.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID126198104
Molecular FormulaC25H18ClIN2O2
Molecular Weight540.79 g/mol
Exact Mass540.01
IUPAC Name4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClIN2O2/c26-22-10-8-20(9-11-22)25(30)29-28-15-17-6-12-24(23(27)14-17)31-16-18-5-7-19-3-1-2-4-21(19)13-18/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyPICSOSPJQLOUBW-MBTHVWNTSA-N
XLogP6.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126017232
4-chloro-N-[(Z)-[3-chloro-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126199234
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3272853
4-chloro-N-[(Z)-(3-iodo-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126199613
1-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3636261
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
N-[(Z)-[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126199927
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 16553490
4-chloro-N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide (CID 126198104) is 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is PICSOSPJQLOUBW-MBTHVWNTSA-N. The full InChI is InChI=1S/C25H18ClIN2O2/c26-22-10-8-20(9-11-22)25(30)29-28-15-17-6-12-24(23(27)14-17)31-16-18-5-7-19-3-1-2-4-21(19)13-18/h1-15H,16H2,(H,29,30)/b28-15-.
What are the key properties of 4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide?
4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 540.79 g/mol, XLogP of 6.44, 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-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 126198104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).