2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide

C18H21FN2O — CID 119796104

IUPAC2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-18(2,14-4-3-5-15(19)11-14)12-21-17(22)10-13-6-8-16(20)9-7-13/h3-9,11H,10,12,20H2,1-2H3,(H,21,22)
InChIKeyCYSPZTYQQVHTND-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide

2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 119796104) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID119796104
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-18(2,14-4-3-5-15(19)11-14)12-21-17(22)10-13-6-8-16(20)9-7-13/h3-9,11H,10,12,20H2,1-2H3,(H,21,22)
InChIKeyCYSPZTYQQVHTND-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.04
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

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 86971523
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide (CID 119796104) is 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is CYSPZTYQQVHTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-18(2,14-4-3-5-15(19)11-14)12-21-17(22)10-13-6-8-16(20)9-7-13/h3-9,11H,10,12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.04, 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-[2-(3-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 119796104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).