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

C15H12ClFN2O2 — CID 82876177

IUPAC3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFN2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)11-5-6-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyDOQJCCXZJHSPKJ-OCKHKDLRSA-N
MW306.72 g/mol
LogP3.93
Rot. Bonds3

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

3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 82876177) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID82876177
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFN2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)11-5-6-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyDOQJCCXZJHSPKJ-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

N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 43823245

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 82876177) is 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is DOQJCCXZJHSPKJ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)11-5-6-14(17)13(16)8-11/h2-8,21H,1H3,(H,18,20)/b19-9-.
What are the key properties of 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
3-chloro-4-fluoro-N-[3-[(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 3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 82876177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).