2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide

C20H25FN2O — CID 119724723

IUPAC2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
SMILESCC(C)(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,3)13-18(15-6-8-16(21)9-7-15)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13,22H2,1-3H3,(H,23,24)
InChIKeyDSMBEIHFMAJQMO-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide

2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide (PubChem CID 119724723) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
PubChem CID119724723
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
SMILESCC(C)(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,3)13-18(15-6-8-16(21)9-7-15)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13,22H2,1-3H3,(H,23,24)
InChIKeyDSMBEIHFMAJQMO-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
CID 124573471
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
CID 56521765
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide (CID 119724723) is 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide is CC(C)(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide?
The InChIKey is DSMBEIHFMAJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-20(2,3)13-18(15-6-8-16(21)9-7-15)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13,22H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide?
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide is sourced from PubChem (CID 119724723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).