4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide

C19H20F2N2O4 — CID 119106484

IUPAC4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-3-23(10-13-14(20)5-4-6-15(13)21)19(25)12-7-8-16(17(9-12)26-2)27-11-18(22)24/h4-9H,3,10-11H2,1-2H3,(H2,22,24)
InChIKeyLWEYSHVSVRQSKR-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.50
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide (PubChem CID 119106484) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide
PubChem CID119106484
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-3-23(10-13-14(20)5-4-6-15(13)21)19(25)12-7-8-16(17(9-12)26-2)27-11-18(22)24/h4-9H,3,10-11H2,1-2H3,(H2,22,24)
InChIKeyLWEYSHVSVRQSKR-UHFFFAOYSA-N
XLogP2.50
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192734
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide (CID 119106484) is 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide is CCN(Cc1c(F)cccc1F)C(=O)c1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide?
The InChIKey is LWEYSHVSVRQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-3-23(10-13-14(20)5-4-6-15(13)21)19(25)12-7-8-16(17(9-12)26-2)27-11-18(22)24/h4-9H,3,10-11H2,1-2H3,(H2,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 2.50, 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-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 119106484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).