N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide

C11H13ClFNO3 — CID 106183536

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCOCC(CCl)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H13ClFNO3/c1-17-6-7(5-12)14-11(16)10-8(13)3-2-4-9(10)15/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyMLHITCWIAFQWCG-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.51
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 106183536) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID106183536
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCOCC(CCl)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H13ClFNO3/c1-17-6-7(5-12)14-11(16)10-8(13)3-2-4-9(10)15/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyMLHITCWIAFQWCG-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
CID 10999433
2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 104918352
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 106183536) is N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide is COCC(CCl)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is MLHITCWIAFQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3/c1-17-6-7(5-12)14-11(16)10-8(13)3-2-4-9(10)15/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 261.68 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 106183536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).