N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide

C19H21FN2O3 — CID 18112685

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-22(13-18(23)21-16-10-8-15(20)9-11-16)19(24)12-7-14-5-3-4-6-17(14)25-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyCYAQQXQTINWKAQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 18112685) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID18112685
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-22(13-18(23)21-16-10-8-15(20)9-11-16)19(24)12-7-14-5-3-4-6-17(14)25-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyCYAQQXQTINWKAQ-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide (CID 18112685) is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide is COc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is CYAQQXQTINWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-22(13-18(23)21-16-10-8-15(20)9-11-16)19(24)12-7-14-5-3-4-6-17(14)25-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 18112685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).