2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide

C16H16ClFN2O — CID 80555203

IUPAC2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1F)c1ccc(N)cc1
InChIInChI=1S/C16H16ClFN2O/c1-16(2,10-3-6-12(19)7-4-10)15(21)20-14-8-5-11(17)9-13(14)18/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXQVBDMJMTTURNW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide (PubChem CID 80555203) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
PubChem CID80555203
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1F)c1ccc(N)cc1
InChIInChI=1S/C16H16ClFN2O/c1-16(2,10-3-6-12(19)7-4-10)15(21)20-14-8-5-11(17)9-13(14)18/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXQVBDMJMTTURNW-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide (CID 80555203) is 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)cc1F)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide?
The InChIKey is XQVBDMJMTTURNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(2,10-3-6-12(19)7-4-10)15(21)20-14-8-5-11(17)9-13(14)18/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide has a molecular weight of 306.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 80555203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).