N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide

C11H13ClFNO2 — CID 107677629

IUPACN-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
SMILESCC(CCl)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-7(5-12)6-14-11(16)9-3-2-8(15)4-10(9)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyLTYVSGAYZWIMSC-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.14
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide

N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677629) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677629
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
SMILESCC(CCl)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-7(5-12)6-14-11(16)9-3-2-8(15)4-10(9)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyLTYVSGAYZWIMSC-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide (CID 107677629) is N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide is CC(CCl)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is LTYVSGAYZWIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(5-12)6-14-11(16)9-3-2-8(15)4-10(9)13/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide?
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 245.68 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).