N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide

C20H23FN2O2 — CID 95292299

IUPACN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)C(C)(C)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(15-8-7-9-16(12-15)23-14(2)24)22-19(25)20(3,4)17-10-5-6-11-18(17)21/h5-13H,1-4H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyGYMSBBLYUJSESH-ZDUSSCGKSA-N
MW342.41 g/mol
LogP3.94
Rot. Bonds5

About N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide

N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 95292299) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
PubChem CID95292299
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)C(C)(C)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(15-8-7-9-16(12-15)23-14(2)24)22-19(25)20(3,4)17-10-5-6-11-18(17)21/h5-13H,1-4H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyGYMSBBLYUJSESH-ZDUSSCGKSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 52509760
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide (CID 95292299) is N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide is CC(=O)Nc1cccc([C@H](C)NC(=O)C(C)(C)c2ccccc2F)c1.
What is the InChIKey of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is GYMSBBLYUJSESH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(15-8-7-9-16(12-15)23-14(2)24)22-19(25)20(3,4)17-10-5-6-11-18(17)21/h5-13H,1-4H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 342.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 95292299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).