2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide

C15H19FN2O3 — CID 103856998

IUPAC2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1CCCC1CO
InChIInChI=1S/C15H19FN2O3/c16-12-6-2-1-5-11(12)15(21)17-8-14(20)18-13-7-3-4-10(13)9-19/h1-2,5-6,10,13,19H,3-4,7-9H2,(H,17,21)(H,18,20)
InChIKeyBUMJASDFAFEAJB-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.83
Rot. Bonds5

About 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide (PubChem CID 103856998) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
PubChem CID103856998
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1CCCC1CO
InChIInChI=1S/C15H19FN2O3/c16-12-6-2-1-5-11(12)15(21)17-8-14(20)18-13-7-3-4-10(13)9-19/h1-2,5-6,10,13,19H,3-4,7-9H2,(H,17,21)(H,18,20)
InChIKeyBUMJASDFAFEAJB-UHFFFAOYSA-N
XLogP0.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438
2-amino-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]acetamide
CID 104872494
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 2534255
N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide
CID 174476150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide (CID 103856998) is 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NC1CCCC1CO.
What is the InChIKey of 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BUMJASDFAFEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-6-2-1-5-11(12)15(21)17-8-14(20)18-13-7-3-4-10(13)9-19/h1-2,5-6,10,13,19H,3-4,7-9H2,(H,17,21)(H,18,20).
What are the key properties of 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103856998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).