4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide

C19H21FN2O4 — CID 47011435

IUPAC4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H21FN2O4/c1-3-22(11-13-5-4-6-15(20)9-13)19(24)14-7-8-16(17(10-14)25-2)26-12-18(21)23/h4-10H,3,11-12H2,1-2H3,(H2,21,23)
InChIKeyOESPXEVPGGAIHT-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.36
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide (PubChem CID 47011435) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
PubChem CID47011435
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H21FN2O4/c1-3-22(11-13-5-4-6-15(20)9-13)19(24)14-7-8-16(17(10-14)25-2)26-12-18(21)23/h4-10H,3,11-12H2,1-2H3,(H2,21,23)
InChIKeyOESPXEVPGGAIHT-UHFFFAOYSA-N
XLogP2.36
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 119106484
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide (CID 47011435) is 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The InChIKey is OESPXEVPGGAIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-3-22(11-13-5-4-6-15(20)9-13)19(24)14-7-8-16(17(10-14)25-2)26-12-18(21)23/h4-10H,3,11-12H2,1-2H3,(H2,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 47011435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).