3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide

C17H15ClF2N2O2 — CID 113132453

IUPAC3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-4-2-3-12(19)9-14)8-7-17(24)21-13-5-6-16(20)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyXGWXHSBFRFBYTJ-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.00
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide

3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 113132453) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID113132453
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-4-2-3-12(19)9-14)8-7-17(24)21-13-5-6-16(20)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyXGWXHSBFRFBYTJ-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide (CID 113132453) is 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is XGWXHSBFRFBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-4-2-3-12(19)9-14)8-7-17(24)21-13-5-6-16(20)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 352.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 113132453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).