N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide

C12H15ClFNO2 — CID 115299603

IUPACN-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15ClFNO2/c1-8(4-5-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyQKTAVPFZQATYQC-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.53
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide

N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115299603) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115299603
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15ClFNO2/c1-8(4-5-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyQKTAVPFZQATYQC-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.53
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-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 115298591
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
N-(2-amino-3-ethylpentyl)-5-fluoro-2-hydroxybenzamide
CID 106286447

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide (CID 115299603) is N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide is CC(CCCl)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is QKTAVPFZQATYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(4-5-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide?
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).