2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

C12H14Cl2FNO2 — CID 79252938

IUPAC2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2FNO2/c1-6(2)11(5-17)16-12(18)7-3-10(15)9(14)4-8(7)13/h3-4,6,11,17H,5H2,1-2H3,(H,16,18)
InChIKeyKOSNGUGNEXUHET-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.88
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 79252938) has the molecular formula C12H14Cl2FNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID79252938
Molecular FormulaC12H14Cl2FNO2
Molecular Weight294.15 g/mol
Exact Mass293.04
IUPAC Name2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2FNO2/c1-6(2)11(5-17)16-12(18)7-3-10(15)9(14)4-8(7)13/h3-4,6,11,17H,5H2,1-2H3,(H,16,18)
InChIKeyKOSNGUGNEXUHET-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
CID 65315016
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
(2R)-2-[(2,4-dichloro-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926607
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (CID 79252938) is 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is CC(C)C(CO)NC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is KOSNGUGNEXUHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO2/c1-6(2)11(5-17)16-12(18)7-3-10(15)9(14)4-8(7)13/h3-4,6,11,17H,5H2,1-2H3,(H,16,18).
What are the key properties of 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 79252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).