3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide

C19H21FN2O4 — CID 113130144

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2F)C(C)=O)c(OC)c1
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(17-9-8-14(25-2)12-18(17)26-3)11-10-19(24)21-16-7-5-4-6-15(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyRPEZLAZXMYSNIC-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.22
Rot. Bonds7

About 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113130144) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113130144
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2F)C(C)=O)c(OC)c1
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(17-9-8-14(25-2)12-18(17)26-3)11-10-19(24)21-16-7-5-4-6-15(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyRPEZLAZXMYSNIC-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide (CID 113130144) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccccc2F)C(C)=O)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is RPEZLAZXMYSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(23)22(17-9-8-14(25-2)12-18(17)26-3)11-10-19(24)21-16-7-5-4-6-15(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 360.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113130144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).