2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C15H20Cl2FNO — CID 102914643

IUPAC2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H20Cl2FNO/c1-8(2)11(9(3)4)7-19-15(20)10-5-14(18)13(17)6-12(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,19,20)
InChIKeyUJAGUKTVPMJMNE-UHFFFAOYSA-N
MW320.24 g/mol
LogP4.79
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102914643) has the molecular formula C15H20Cl2FNO and a molecular weight of 320.24 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102914643
Molecular FormulaC15H20Cl2FNO
Molecular Weight320.24 g/mol
Exact Mass319.09
IUPAC Name2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H20Cl2FNO/c1-8(2)11(9(3)4)7-19-15(20)10-5-14(18)13(17)6-12(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,19,20)
InChIKeyUJAGUKTVPMJMNE-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide 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

2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102914643) is 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is UJAGUKTVPMJMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FNO/c1-8(2)11(9(3)4)7-19-15(20)10-5-14(18)13(17)6-12(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 320.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102914643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).