N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide

C14H11ClIN3O2 — CID 76932675

IUPACN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
SMILESNC(=NO)c1ccc(Cl)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H11ClIN3O2/c15-9-3-6-11(13(17)19-21)12(7-9)18-14(20)8-1-4-10(16)5-2-8/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyMPIRYSULESHWOM-UHFFFAOYSA-N
MW415.62 g/mol
LogP3.29
Rot. Bonds3

About N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide

N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide (PubChem CID 76932675) has the molecular formula C14H11ClIN3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
PubChem CID76932675
Molecular FormulaC14H11ClIN3O2
Molecular Weight415.62 g/mol
Exact Mass414.96
IUPAC NameN-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
SMILESNC(=NO)c1ccc(Cl)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H11ClIN3O2/c15-9-3-6-11(13(17)19-21)12(7-9)18-14(20)8-1-4-10(16)5-2-8/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyMPIRYSULESHWOM-UHFFFAOYSA-N
XLogP3.29
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786385
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
CID 106753963
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-4-iodobenzamide
CID 82697909
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 77050479
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050482
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161056
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002935

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide (CID 76932675) is N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide is NC(=NO)c1ccc(Cl)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide?
The InChIKey is MPIRYSULESHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3O2/c15-9-3-6-11(13(17)19-21)12(7-9)18-14(20)8-1-4-10(16)5-2-8/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide?
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide has a molecular weight of 415.62 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide is sourced from PubChem (CID 76932675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).