7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H21FN2O3 — CID 71998756

IUPAC7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1Cc2cccc(F)c2O1
InChIInChI=1S/C16H21FN2O3/c1-9(2)7-12(15(20)18-3)19-16(21)13-8-10-5-4-6-11(17)14(10)22-13/h4-6,9,12-13H,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZWBJDHSAQHFJQQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.41
Rot. Bonds5

About 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 71998756) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID71998756
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1Cc2cccc(F)c2O1
InChIInChI=1S/C16H21FN2O3/c1-9(2)7-12(15(20)18-3)19-16(21)13-8-10-5-4-6-11(17)14(10)22-13/h4-6,9,12-13H,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZWBJDHSAQHFJQQ-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004473
7-fluoro-N-(4-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111480596
7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111566101
(2R,5S)-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944794
tert-butyl 7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135394558
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
7-methoxy-N-[4-methyl-1-oxo-1-[[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 175537413
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
3-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 129353193
1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 69305108
2-[2-(dimethylamino)ethyl-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]acetic acid
CID 124685352
2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 71998756) is 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1Cc2cccc(F)c2O1.
What is the InChIKey of 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZWBJDHSAQHFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-9(2)7-12(15(20)18-3)19-16(21)13-8-10-5-4-6-11(17)14(10)22-13/h4-6,9,12-13H,7-8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71998756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).