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

C15H14ClFN2O — CID 60991447

IUPAC2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-15(14(18)20,10-3-2-4-12(17)9-10)19-13-7-5-11(16)6-8-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyXUDAHWOSBAWRDJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.29
Rot. Bonds4

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

2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide (PubChem CID 60991447) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
PubChem CID60991447
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-15(14(18)20,10-3-2-4-12(17)9-10)19-13-7-5-11(16)6-8-13/h2-9,19H,1H3,(H2,18,20)
InChIKeyXUDAHWOSBAWRDJ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
CID 60996874
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 71977399
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide (CID 60991447) is 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide is CC(Nc1ccc(Cl)cc1)(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide?
The InChIKey is XUDAHWOSBAWRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-15(14(18)20,10-3-2-4-12(17)9-10)19-13-7-5-11(16)6-8-13/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide?
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide has a molecular weight of 292.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide is sourced from PubChem (CID 60991447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).