4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

C19H21FN2O3 — CID 51162813

IUPAC4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-17-10-6-15(7-11-17)19(24)21-12-18(23)22(2)13-14-4-8-16(20)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyKGOHLCVIMQBOHF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.61
Rot. Bonds7

About 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 51162813) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID51162813
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-25-17-10-6-15(7-11-17)19(24)21-12-18(23)22(2)13-14-4-8-16(20)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyKGOHLCVIMQBOHF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257
4-ethoxy-N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 134058778
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 51162813) is 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is KGOHLCVIMQBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-17-10-6-15(7-11-17)19(24)21-12-18(23)22(2)13-14-4-8-16(20)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).