N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide

C14H11ClIN3O2 — CID 107809918

IUPACN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C14H11ClIN3O2/c15-11-7-8(13(17)19-21)4-5-12(11)18-14(20)9-2-1-3-10(16)6-9/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyKBJXSJCGFOJISP-UHFFFAOYSA-N
MW415.62 g/mol
LogP3.29
Rot. Bonds3

About N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide

N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide (PubChem CID 107809918) has the molecular formula C14H11ClIN3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
PubChem CID107809918
Molecular FormulaC14H11ClIN3O2
Molecular Weight415.62 g/mol
Exact Mass414.96
IUPAC NameN-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C14H11ClIN3O2/c15-11-7-8(13(17)19-21)4-5-12(11)18-14(20)9-2-1-3-10(16)6-9/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyKBJXSJCGFOJISP-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-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
5-bromo-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809849
3-bromo-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809860
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113
5-bromo-N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 107809904
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide (CID 107809918) is N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide is N/C(=N/O)c1ccc(NC(=O)c2cccc(I)c2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide?
The InChIKey is KBJXSJCGFOJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3O2/c15-11-7-8(13(17)19-21)4-5-12(11)18-14(20)9-2-1-3-10(16)6-9/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide?
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-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-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 107809918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).