3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide

C18H19FN2O3 — CID 113128801

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccccc1F)C(C)=O
InChIInChI=1S/C18H19FN2O3/c1-13(22)21(16-9-5-6-10-17(16)24-2)12-11-18(23)20-15-8-4-3-7-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyAEINMWPYIUPMLY-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.22
Rot. Bonds6

About 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113128801) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113128801
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccccc1F)C(C)=O
InChIInChI=1S/C18H19FN2O3/c1-13(22)21(16-9-5-6-10-17(16)24-2)12-11-18(23)20-15-8-4-3-7-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyAEINMWPYIUPMLY-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
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-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
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-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide (CID 113128801) is 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide is COc1ccccc1N(CCC(=O)Nc1ccccc1F)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is AEINMWPYIUPMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-13(22)21(16-9-5-6-10-17(16)24-2)12-11-18(23)20-15-8-4-3-7-14(15)19/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 330.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113128801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).