N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide

C18H20FNO — CID 81481600

IUPACN-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C18H20FNO/c1-4-12(2)14-8-10-15(11-9-14)20-18(21)16-7-5-6-13(3)17(16)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyBLALAQMJBIKKDF-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.90
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide

N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 81481600) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID81481600
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C18H20FNO/c1-4-12(2)14-8-10-15(11-9-14)20-18(21)16-7-5-6-13(3)17(16)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyBLALAQMJBIKKDF-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 81477970
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
N-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 1083362
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 40950429
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide (CID 81481600) is N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide is CCC(C)c1ccc(NC(=O)c2cccc(C)c2F)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is BLALAQMJBIKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-4-12(2)14-8-10-15(11-9-14)20-18(21)16-7-5-6-13(3)17(16)19/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).