5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

C17H17FN2O3 — CID 110908798

IUPAC5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C17H17FN2O3/c1-11(22)20-14-6-7-16(18)15(8-14)17(23)19-9-12-4-2-3-5-13(12)10-21/h2-8,21H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyPDIVVVUDDOMPFL-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.21
Rot. Bonds5

About 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 110908798) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID110908798
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C17H17FN2O3/c1-11(22)20-14-6-7-16(18)15(8-14)17(23)19-9-12-4-2-3-5-13(12)10-21/h2-8,21H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyPDIVVVUDDOMPFL-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 60567676
2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
CID 51102571
5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60567845
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050
2-[[(5-acetamido-2-fluorobenzoyl)amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533136
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (CID 110908798) is 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CO)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is PDIVVVUDDOMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(22)20-14-6-7-16(18)15(8-14)17(23)19-9-12-4-2-3-5-13(12)10-21/h2-8,21H,9-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 110908798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).