3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

C18H18F2N2O3 — CID 112993558

IUPAC3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H18F2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-22-18(24)13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyOJUMFZNFAWPSBA-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.06
Rot. Bonds7

About 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 112993558) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID112993558
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H18F2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-22-18(24)13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyOJUMFZNFAWPSBA-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 112993558) is 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is COc1cccc(CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is OJUMFZNFAWPSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-25-14-4-2-3-12(9-14)7-8-21-17(23)11-22-18(24)13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112993558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).