3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide

C17H17ClFNO3 — CID 154863739

IUPAC3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide
SMILESCCC(NC(=O)c1cccc(Cl)c1O)C(O)c1ccccc1F
InChIInChI=1S/C17H17ClFNO3/c1-2-14(16(22)10-6-3-4-9-13(10)19)20-17(23)11-7-5-8-12(18)15(11)21/h3-9,14,16,21-22H,2H2,1H3,(H,20,23)
InChIKeyPCMMYGPAYRLSIU-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide

3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide (PubChem CID 154863739) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide
PubChem CID154863739
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide
SMILESCCC(NC(=O)c1cccc(Cl)c1O)C(O)c1ccccc1F
InChIInChI=1S/C17H17ClFNO3/c1-2-14(16(22)10-6-3-4-9-13(10)19)20-17(23)11-7-5-8-12(18)15(11)21/h3-9,14,16,21-22H,2H2,1H3,(H,20,23)
InChIKeyPCMMYGPAYRLSIU-UHFFFAOYSA-N
XLogP3.43
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide
CID 154844616
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide
CID 95787812
3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
CID 155946974
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide (CID 154863739) is 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide is CCC(NC(=O)c1cccc(Cl)c1O)C(O)c1ccccc1F.
What is the InChIKey of 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide?
The InChIKey is PCMMYGPAYRLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-2-14(16(22)10-6-3-4-9-13(10)19)20-17(23)11-7-5-8-12(18)15(11)21/h3-9,14,16,21-22H,2H2,1H3,(H,20,23).
What are the key properties of 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide?
3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide has a molecular weight of 337.78 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 154863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).