3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide

C15H12ClIN2O2 — CID 103222262

IUPAC3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClIN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyXEBJCRLKEBTNPS-OCKHKDLRSA-N
MW414.63 g/mol
LogP4.40
Rot. Bonds3

About 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide

3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide (PubChem CID 103222262) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
PubChem CID103222262
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC Name3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClIN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyXEBJCRLKEBTNPS-OCKHKDLRSA-N
XLogP4.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.40
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide (CID 103222262) is 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide is C/C(=N/O)c1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide?
The InChIKey is XEBJCRLKEBTNPS-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-.
What are the key properties of 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide?
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide has a molecular weight of 414.63 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide is sourced from PubChem (CID 103222262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).