2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide

C15H21FN2O3 — CID 62517227

IUPAC2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
SMILESCCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-3-15(4-2,10-19)18-13(20)9-17-14(21)11-7-5-6-8-12(11)16/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRVTJNTHMLFAKHN-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.22
Rot. Bonds7

About 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide (PubChem CID 62517227) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
PubChem CID62517227
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
SMILESCCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-3-15(4-2,10-19)18-13(20)9-17-14(21)11-7-5-6-8-12(11)16/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRVTJNTHMLFAKHN-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
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N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
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2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
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2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
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N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
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2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
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CID 43387751
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CID 3424482

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide (CID 62517227) is 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide is CCC(CC)(CO)NC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
The InChIKey is RVTJNTHMLFAKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-15(4-2,10-19)18-13(20)9-17-14(21)11-7-5-6-8-12(11)16/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 62517227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).