2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C21H25FN2O3 — CID 134023150

IUPAC2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOCc1ccccc1CNC(=O)C(NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)17-10-6-7-11-18(17)22)21(26)23-12-15-8-4-5-9-16(15)13-27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyUZLGYNQPONOUNF-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.04
Rot. Bonds8

About 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 134023150) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID134023150
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOCc1ccccc1CNC(=O)C(NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)17-10-6-7-11-18(17)22)21(26)23-12-15-8-4-5-9-16(15)13-27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyUZLGYNQPONOUNF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
2-fluoro-N-[1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46447828
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
N-[1-[(5-chlorothiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55587983
2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762
N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 31340703
2-fluoro-N-[1-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 56524284
2-fluoro-N-[3-methyl-1-oxo-1-(phenylmethoxyamino)butan-2-yl]benzamide
CID 51151730
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 4260266
2-fluoro-N-[1-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692739
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 134023150) is 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COCc1ccccc1CNC(=O)C(NC(=O)c1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is UZLGYNQPONOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14(2)19(24-20(25)17-10-6-7-11-18(17)22)21(26)23-12-15-8-4-5-9-16(15)13-27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).