3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide

C18H18F2N2O3 — CID 113129022

IUPAC3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccc(F)cc2F)C(C)=O)c1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(14-4-3-5-15(11-14)25-2)9-8-18(24)21-17-7-6-13(19)10-16(17)20/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyCBFITPHLRUFJOV-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.36
Rot. Bonds6

About 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide

3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide (PubChem CID 113129022) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
PubChem CID113129022
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccc(F)cc2F)C(C)=O)c1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(14-4-3-5-15(11-14)25-2)9-8-18(24)21-17-7-6-13(19)10-16(17)20/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyCBFITPHLRUFJOV-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
CID 113132672
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1306853
ethyl 4-[acetyl-[3-(2,4-difluoroanilino)-3-oxopropyl]amino]benzoate
CID 113133381
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide (CID 113129022) is 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide is COc1cccc(N(CCC(=O)Nc2ccc(F)cc2F)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is CBFITPHLRUFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(23)22(14-4-3-5-15(11-14)25-2)9-8-18(24)21-17-7-6-13(19)10-16(17)20/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide?
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 348.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113129022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).