N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide

C20H22FN3O3 — CID 26712476

IUPACN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-24(4-2)20(27)14-8-7-9-15(12-14)23-18(25)13-22-19(26)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKEIAPNDTKHVDIL-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 26712476) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID26712476
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-24(4-2)20(27)14-8-7-9-15(12-14)23-18(25)13-22-19(26)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKEIAPNDTKHVDIL-UHFFFAOYSA-N
XLogP2.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide (CID 26712476) is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is KEIAPNDTKHVDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-24(4-2)20(27)14-8-7-9-15(12-14)23-18(25)13-22-19(26)16-10-5-6-11-17(16)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 371.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 26712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).