N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

C18H20FNO — CID 1122525

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRNYUVDGQFWRZMT-ZDUSSCGKSA-N
MW285.36 g/mol
LogP4.52
Rot. Bonds5

About N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 1122525) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID1122525
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRNYUVDGQFWRZMT-ZDUSSCGKSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9252027
2-(4-fluorophenyl)-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507974
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7284399
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-[2-[(2R)-butan-2-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2670812
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 1122525) is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is CC[C@H](C)c1ccccc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RNYUVDGQFWRZMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 285.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).