N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

C18H19FN2O4 — CID 2573158

IUPACN-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCCNC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H19FN2O4/c1-3-20-18(23)12-4-9-15(16(10-12)24-2)25-11-17(22)21-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDPHLIDZPMLGRPN-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.60
Rot. Bonds7

About N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 2573158) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
PubChem CID2573158
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCCNC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H19FN2O4/c1-3-20-18(23)12-4-9-15(16(10-12)24-2)25-11-17(22)21-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDPHLIDZPMLGRPN-UHFFFAOYSA-N
XLogP2.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (CID 2573158) is N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is CCNC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is DPHLIDZPMLGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-3-20-18(23)12-4-9-15(16(10-12)24-2)25-11-17(22)21-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is sourced from PubChem (CID 2573158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).