N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C25H17Cl2IN2O3 — CID 3272853

IUPACN-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H17Cl2IN2O3/c26-20-7-5-16(9-21(20)27)14-33-24-8-6-15(10-22(24)28)13-29-30-25(32)19-11-17-3-1-2-4-18(17)12-23(19)31/h1-13,31H,14H2,(H,30,32)
InChIKeyHSVFOAUKQVZJIY-UHFFFAOYSA-N
MW591.23 g/mol
LogP6.80
Rot. Bonds6

About N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3272853) has the molecular formula C25H17Cl2IN2O3 and a molecular weight of 591.23 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3272853
Molecular FormulaC25H17Cl2IN2O3
Molecular Weight591.23 g/mol
Exact Mass589.97
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H17Cl2IN2O3/c26-20-7-5-16(9-21(20)27)14-33-24-8-6-15(10-22(24)28)13-29-30-25(32)19-11-17-3-1-2-4-18(17)12-23(19)31/h1-13,31H,14H2,(H,30,32)
InChIKeyHSVFOAUKQVZJIY-UHFFFAOYSA-N
XLogP6.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.23
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'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-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3875423
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5029518
N-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3926735
N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5021305
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378497
4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126198104
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4002606
N-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4254365
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(Z)-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378459
N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126017232

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 3272853) is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is HSVFOAUKQVZJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2IN2O3/c26-20-7-5-16(9-21(20)27)14-33-24-8-6-15(10-22(24)28)13-29-30-25(32)19-11-17-3-1-2-4-18(17)12-23(19)31/h1-13,31H,14H2,(H,30,32).
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 591.23 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3272853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).