2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide

C15H14FN3O2 — CID 76945644

IUPAC2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccccc2C(N)=NO)c1
InChIInChI=1S/C15H14FN3O2/c1-9-6-7-12(16)11(8-9)15(20)18-13-5-3-2-4-10(13)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyVILMPJDMVZTZEN-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.48
Rot. Bonds3

About 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide

2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide (PubChem CID 76945644) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
PubChem CID76945644
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccccc2C(N)=NO)c1
InChIInChI=1S/C15H14FN3O2/c1-9-6-7-12(16)11(8-9)15(20)18-13-5-3-2-4-10(13)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyVILMPJDMVZTZEN-UHFFFAOYSA-N
XLogP2.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.48
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'}

Analyze 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107992341
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide (CID 76945644) is 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccccc2C(N)=NO)c1.
What is the InChIKey of 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide?
The InChIKey is VILMPJDMVZTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-6-7-12(16)11(8-9)15(20)18-13-5-3-2-4-10(13)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide?
2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 76945644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).