2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide

C16H16ClFN2O — CID 114831914

IUPAC2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)(Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C16H16ClFN2O/c1-16(15(19)21,10-11-2-6-13(18)7-3-11)20-14-8-4-12(17)5-9-14/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyXGLAVASBDPASHW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide

2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 114831914) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID114831914
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)(Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C16H16ClFN2O/c1-16(15(19)21,10-11-2-6-13(18)7-3-11)20-14-8-4-12(17)5-9-14/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyXGLAVASBDPASHW-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832037
3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 114831963
2-(4-fluoroanilino)-2-methylhex-5-enamide
CID 104655903
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114832222
2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)propanamide
CID 9389804

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide (CID 114831914) is 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide is CC(Cc1ccc(F)cc1)(Nc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is XGLAVASBDPASHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(15(19)21,10-11-2-6-13(18)7-3-11)20-14-8-4-12(17)5-9-14/h2-9,20H,10H2,1H3,(H2,19,21).
What are the key properties of 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide?
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 306.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114831914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).