2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide

C14H11F2N3O2 — CID 76948104

IUPAC2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C14H11F2N3O2/c15-11-3-1-2-10(12(11)16)14(20)18-9-6-4-8(5-7-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyVFSUVEHTMKJLKX-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.31
Rot. Bonds3

About 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide

2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide (PubChem CID 76948104) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
PubChem CID76948104
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C14H11F2N3O2/c15-11-3-1-2-10(12(11)16)14(20)18-9-6-4-8(5-7-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyVFSUVEHTMKJLKX-UHFFFAOYSA-N
XLogP2.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.31
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

2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107677292
2-[2-[[4-(N'-hydroxycarbamimidoyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 59879871
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107690793
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide (CID 76948104) is 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide is NC(=NO)c1ccc(NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The InChIKey is VFSUVEHTMKJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-11-3-1-2-10(12(11)16)14(20)18-9-6-4-8(5-7-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide has a molecular weight of 291.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide is sourced from PubChem (CID 76948104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).