N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide

C18H20FNO — CID 100829555

IUPACN-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
SMILESCC[C@@H](CNC(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-14(15-8-10-17(19)11-9-15)12-20-18(21)16-6-4-13(2)5-7-16/h4-11,14H,3,12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyHCXAAKHMBPIQBF-AWEZNQCLSA-N
MW285.36 g/mol
LogP4.06
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide

N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide (PubChem CID 100829555) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
PubChem CID100829555
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
SMILESCC[C@@H](CNC(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-14(15-8-10-17(19)11-9-15)12-20-18(21)16-6-4-13(2)5-7-16/h4-11,14H,3,12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyHCXAAKHMBPIQBF-AWEZNQCLSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide (CID 100829555) is N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide is CC[C@@H](CNC(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide?
The InChIKey is HCXAAKHMBPIQBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-14(15-8-10-17(19)11-9-15)12-20-18(21)16-6-4-13(2)5-7-16/h4-11,14H,3,12H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide?
N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide is sourced from PubChem (CID 100829555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).