2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H12Cl2FNO2 — CID 113337578

IUPAC2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(5-16)15(2)11(17)7-3-10(14)9(13)4-8(7)12/h3-4,6,16H,5H2,1-2H3
InChIKeyNHFYOAVJZVNSNQ-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.59
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 113337578) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID113337578
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(5-16)15(2)11(17)7-3-10(14)9(13)4-8(7)12/h3-4,6,16H,5H2,1-2H3
InChIKeyNHFYOAVJZVNSNQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
CID 119583838
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 113337578) is 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is NHFYOAVJZVNSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(5-16)15(2)11(17)7-3-10(14)9(13)4-8(7)12/h3-4,6,16H,5H2,1-2H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 280.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 113337578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).