4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C15H21ClFNO — CID 102915104

IUPAC4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C15H21ClFNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19)
InChIKeyWUDIYSVBFHHWGR-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.14
Rot. Bonds5

About 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide

4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102915104) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102915104
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C15H21ClFNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19)
InChIKeyWUDIYSVBFHHWGR-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102915104) is 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1ccc(Cl)cc1F)C(C)C.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is WUDIYSVBFHHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-9(2)13(10(3)4)8-18-15(19)12-6-5-11(16)7-14(12)17/h5-7,9-10,13H,8H2,1-4H3,(H,18,19).
What are the key properties of 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 285.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102915104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).