4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C22H27FN2O4 — CID 55897590

IUPAC4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1OCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H27FN2O4/c1-15(2)20(24-21(26)16-9-11-17(23)12-10-16)22(27)25(3)13-14-29-19-8-6-5-7-18(19)28-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyYWPDZGRQJCLYLV-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.13
Rot. Bonds9

About 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55897590) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55897590
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1OCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H27FN2O4/c1-15(2)20(24-21(26)16-9-11-17(23)12-10-16)22(27)25(3)13-14-29-19-8-6-5-7-18(19)28-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyYWPDZGRQJCLYLV-UHFFFAOYSA-N
XLogP3.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55948305
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
4-fluoro-N-[3-methyl-1-[methyl(propan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 86920284
4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55431310
N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31284995
4-fluoro-N-[3-methyl-1-[methyl-[(2-nitrophenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 46412991
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
4-fluoro-N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 42904951
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
4-fluoro-N-[1-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3983098

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55897590) is 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccccc1OCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is YWPDZGRQJCLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-15(2)20(24-21(26)16-9-11-17(23)12-10-16)22(27)25(3)13-14-29-19-8-6-5-7-18(19)28-4/h5-12,15,20H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 402.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55897590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).