N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide

C17H15ClI2N2O2 — CID 4508173

IUPACN-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(I)cc(I)c2O)c1
InChIInChI=1S/C17H15ClI2N2O2/c1-2-3-16(23)22-12-4-5-13(18)15(8-12)21-9-10-6-11(19)7-14(20)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+
InChIKeyPLGSREWAYXUOJD-ZVBGSRNCSA-N
MW568.58 g/mol
LogP5.74
Rot. Bonds5

About N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide

N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide (PubChem CID 4508173) has the molecular formula C17H15ClI2N2O2 and a molecular weight of 568.58 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
PubChem CID4508173
Molecular FormulaC17H15ClI2N2O2
Molecular Weight568.58 g/mol
Exact Mass567.89
IUPAC NameN-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(I)cc(I)c2O)c1
InChIInChI=1S/C17H15ClI2N2O2/c1-2-3-16(23)22-12-4-5-13(18)15(8-12)21-9-10-6-11(19)7-14(20)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+
InChIKeyPLGSREWAYXUOJD-ZVBGSRNCSA-N
XLogP5.74
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
CID 4508385
N-[4-chloro-3-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]butanamide
CID 4508373
N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
CID 3424638
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-(3-formyl-4-hydroxyphenyl)butanamide
CID 174392069
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]butanamide
CID 169366318
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide (CID 4508173) is N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(I)cc(I)c2O)c1.
What is the InChIKey of N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide?
The InChIKey is PLGSREWAYXUOJD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H15ClI2N2O2/c1-2-3-16(23)22-12-4-5-13(18)15(8-12)21-9-10-6-11(19)7-14(20)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+.
What are the key properties of N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide?
N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide has a molecular weight of 568.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide is sourced from PubChem (CID 4508173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).