4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C21H25FN2O3 — CID 51157888

IUPAC4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)16-6-8-17(22)9-7-16)21(26)23-13-12-15-4-10-18(27-3)11-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXWNHAUQWXUPOMD-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.95
Rot. Bonds8

About 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 51157888) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID51157888
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)16-6-8-17(22)9-7-16)21(26)23-13-12-15-4-10-18(27-3)11-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXWNHAUQWXUPOMD-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55619465
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide
CID 55434435
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360
4-fluoro-N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43006594
N-[1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55361205
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 51157888) is 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(CCNC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XWNHAUQWXUPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)16-6-8-17(22)9-7-16)21(26)23-13-12-15-4-10-18(27-3)11-5-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51157888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).