N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide

C13H14F3NO5 — CID 58342810

IUPACN-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC(CCO)C(=O)CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)12(21)17-10(5-6-18)11(20)7-19/h1-4,10,18-19H,5-7H2,(H,17,21)
InChIKeyIEJKXCVJGMJBHE-UHFFFAOYSA-N
MW321.25 g/mol
LogP0.63
Rot. Bonds7

About N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide

N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 58342810) has the molecular formula C13H14F3NO5 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID58342810
Molecular FormulaC13H14F3NO5
Molecular Weight321.25 g/mol
Exact Mass321.08
IUPAC NameN-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC(CCO)C(=O)CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)12(21)17-10(5-6-18)11(20)7-19/h1-4,10,18-19H,5-7H2,(H,17,21)
InChIKeyIEJKXCVJGMJBHE-UHFFFAOYSA-N
XLogP0.63
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
(2S)-2-[[4-(4-fluorophenoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 71422155
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
2-[[4-(4-chlorophenoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 69018610
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
CID 144950554

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide (CID 58342810) is N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide is O=C(NC(CCO)C(=O)CO)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is IEJKXCVJGMJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)12(21)17-10(5-6-18)11(20)7-19/h1-4,10,18-19H,5-7H2,(H,17,21).
What are the key properties of N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide?
N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 321.25 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).