2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide

C16H15FN2O3 — CID 167771405

IUPAC2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C16H15FN2O3/c1-10-2-7-14(17)13(8-10)16(21)18-9-11-3-5-12(6-4-11)15(20)19-22/h2-8,22H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyCJUVRJRINFFYFM-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.18
Rot. Bonds4

About 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide

2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide (PubChem CID 167771405) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
PubChem CID167771405
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C16H15FN2O3/c1-10-2-7-14(17)13(8-10)16(21)18-9-11-3-5-12(6-4-11)15(20)19-22/h2-8,22H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyCJUVRJRINFFYFM-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide (CID 167771405) is 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide?
The InChIKey is CJUVRJRINFFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-2-7-14(17)13(8-10)16(21)18-9-11-3-5-12(6-4-11)15(20)19-22/h2-8,22H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide?
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide has a molecular weight of 302.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 167771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).