N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

C22H27FN2O2 — CID 119525803

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESCC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O2/c1-14(2)16-7-9-17(10-8-16)20(24)13-25-21(26)11-15(3)22(27)18-5-4-6-19(23)12-18/h4-10,12,14-15,20H,11,13,24H2,1-3H3,(H,25,26)
InChIKeyZJKZJFCBHGWNJU-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.97
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (PubChem CID 119525803) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
PubChem CID119525803
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESCC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O2/c1-14(2)16-7-9-17(10-8-16)20(24)13-25-21(26)11-15(3)22(27)18-5-4-6-19(23)12-18/h4-10,12,14-15,20H,11,13,24H2,1-3H3,(H,25,26)
InChIKeyZJKZJFCBHGWNJU-UHFFFAOYSA-N
XLogP3.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119526384
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
CID 119526217
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119525524
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (CID 119525803) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is CC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The InChIKey is ZJKZJFCBHGWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14(2)16-7-9-17(10-8-16)20(24)13-25-21(26)11-15(3)22(27)18-5-4-6-19(23)12-18/h4-10,12,14-15,20H,11,13,24H2,1-3H3,(H,25,26).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide has a molecular weight of 370.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is sourced from PubChem (CID 119525803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).