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

C15H12ClFN2O2 — CID 107988434

IUPAC4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-13(16)14(17)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyPSGKOPJJPHPTRO-OCKHKDLRSA-N
MW306.72 g/mol
LogP3.93
Rot. Bonds3

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

4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 107988434) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID107988434
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-13(16)14(17)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyPSGKOPJJPHPTRO-OCKHKDLRSA-N
XLogP3.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 115298806
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
CID 24711478
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 107988434) is 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is PSGKOPJJPHPTRO-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-9(19-21)10-2-5-12(6-3-10)18-15(20)11-4-7-13(16)14(17)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-.
What are the key properties of 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 306.72 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 107988434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).