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

C14H11ClFN3O2 — CID 107992341

IUPAC4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFN3O2/c15-10-6-5-8(7-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyUEKJRUHQEUFWCM-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.83
Rot. Bonds3

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

4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (PubChem CID 107992341) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
PubChem CID107992341
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC Name4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFN3O2/c15-10-6-5-8(7-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyUEKJRUHQEUFWCM-UHFFFAOYSA-N
XLogP2.83
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.83
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107728885
5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338
2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
CID 76945644
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
CID 77135119
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 55037454
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
CID 76932675
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
2-bromo-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 106855740
N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (CID 107992341) is 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is N/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The InChIKey is UEKJRUHQEUFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-10-6-5-8(7-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide has a molecular weight of 307.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is sourced from PubChem (CID 107992341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).