3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide

C22H27FN2O4 — CID 55396470

IUPAC3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(CC)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C22H27FN2O4/c1-4-25(15-16-8-7-9-18(23)12-16)21(26)14-24-22(27)17-10-11-19(28-5-2)20(13-17)29-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,24,27)
InChIKeyHQHFTIWYESOPSK-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.40
Rot. Bonds10

About 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 55396470) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID55396470
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(CC)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C22H27FN2O4/c1-4-25(15-16-8-7-9-18(23)12-16)21(26)14-24-22(27)17-10-11-19(28-5-2)20(13-17)29-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,24,27)
InChIKeyHQHFTIWYESOPSK-UHFFFAOYSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24548300
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 55373690
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18202482
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 134046635
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide (CID 55396470) is 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N(CC)Cc2cccc(F)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HQHFTIWYESOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-4-25(15-16-8-7-9-18(23)12-16)21(26)14-24-22(27)17-10-11-19(28-5-2)20(13-17)29-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 402.47 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).