2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide

C16H16FN3O3 — CID 51102571

IUPAC2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)NCc2ccccc2CO)ccc1F
InChIInChI=1S/C16H16FN3O3/c17-14-6-5-12(7-13(14)15(18)22)20-16(23)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H2,18,22)(H2,19,20,23)
InChIKeyFJNPKZRAUQPDBX-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.74
Rot. Bonds5

About 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide

2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide (PubChem CID 51102571) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
PubChem CID51102571
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)NCc2ccccc2CO)ccc1F
InChIInChI=1S/C16H16FN3O3/c17-14-6-5-12(7-13(14)15(18)22)20-16(23)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H2,18,22)(H2,19,20,23)
InChIKeyFJNPKZRAUQPDBX-UHFFFAOYSA-N
XLogP1.74
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
CID 47039415
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911319
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
1-benzyl-3-(3-carbamimidoyl-4-fluorophenyl)urea
CID 107654630
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80722310
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
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5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide?
The IUPAC name of 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide (CID 51102571) is 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide is NC(=O)c1cc(NC(=O)NCc2ccccc2CO)ccc1F.
What is the InChIKey of 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide?
The InChIKey is FJNPKZRAUQPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-14-6-5-12(7-13(14)15(18)22)20-16(23)19-8-10-3-1-2-4-11(10)9-21/h1-7,21H,8-9H2,(H2,18,22)(H2,19,20,23).
What are the key properties of 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide?
2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide has a molecular weight of 317.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 51102571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).