3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide

C15H14FN3O2 — CID 76932851

IUPAC3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H14FN3O2/c1-19(15(20)11-5-2-6-12(16)8-11)13-7-3-4-10(9-13)14(17)18-21/h2-9,21H,1H3,(H2,17,18)
InChIKeyRMDQYAFYAFGNSH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.20
Rot. Bonds3

About 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide

3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (PubChem CID 76932851) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
PubChem CID76932851
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H14FN3O2/c1-19(15(20)11-5-2-6-12(16)8-11)13-7-3-4-10(9-13)14(17)18-21/h2-9,21H,1H3,(H2,17,18)
InChIKeyRMDQYAFYAFGNSH-UHFFFAOYSA-N
XLogP2.20
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
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

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
CID 104639481
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-4-carboxamide
CID 77054805
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 76982250
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76932829
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103557935
2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide
CID 141412363

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The IUPAC name of 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (CID 76932851) is 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is CN(C(=O)c1cccc(F)c1)c1cccc(C(N)=NO)c1.
What is the InChIKey of 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The InChIKey is RMDQYAFYAFGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-19(15(20)11-5-2-6-12(16)8-11)13-7-3-4-10(9-13)14(17)18-21/h2-9,21H,1H3,(H2,17,18).
What are the key properties of 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 76932851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).