3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide

C19H20F2N2O4 — CID 113135609

IUPAC3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(13-4-6-15(20)16(21)10-13)9-8-19(25)22-17-7-5-14(26-2)11-18(17)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyQKULTOCBNWWXEK-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.36
Rot. Bonds7

About 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide

3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113135609) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113135609
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(13-4-6-15(20)16(21)10-13)9-8-19(25)22-17-7-5-14(26-2)11-18(17)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyQKULTOCBNWWXEK-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113175346
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide (CID 113135609) is 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is QKULTOCBNWWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-12(24)23(13-4-6-15(20)16(21)10-13)9-8-19(25)22-17-7-5-14(26-2)11-18(17)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 378.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113135609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).