N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C19H22F2N2O5 — CID 170347642

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCC3CCCC3(F)F)cc2c1C(=O)NC(CO)C(N)=O
InChIInChI=1S/C19H22F2N2O5/c1-10-16(18(26)23-14(8-24)17(22)25)13-7-12(4-5-15(13)28-10)27-9-11-3-2-6-19(11,20)21/h4-5,7,11,14,24H,2-3,6,8-9H2,1H3,(H2,22,25)(H,23,26)
InChIKeyMYGLEVYVKITXMO-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.13
Rot. Bonds7

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 170347642) has the molecular formula C19H22F2N2O5 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID170347642
Molecular FormulaC19H22F2N2O5
Molecular Weight396.39 g/mol
Exact Mass396.15
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCC3CCCC3(F)F)cc2c1C(=O)NC(CO)C(N)=O
InChIInChI=1S/C19H22F2N2O5/c1-10-16(18(26)23-14(8-24)17(22)25)13-7-12(4-5-15(13)28-10)27-9-11-3-2-6-19(11,20)21/h4-5,7,11,14,24H,2-3,6,8-9H2,1H3,(H2,22,25)(H,23,26)
InChIKeyMYGLEVYVKITXMO-UHFFFAOYSA-N
XLogP2.13
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380698
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480641
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129124
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(4-methyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129119
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
ethyl 5-[(2,2-difluorocyclopropyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 170347607
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(2-chloro-6-fluorophenyl)-dideuteriomethoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129126
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
CID 176877119
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379968
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380738
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-(2,2-difluoroethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 170347640

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 170347642) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCC3CCCC3(F)F)cc2c1C(=O)NC(CO)C(N)=O.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is MYGLEVYVKITXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5/c1-10-16(18(26)23-14(8-24)17(22)25)13-7-12(4-5-15(13)28-10)27-9-11-3-2-6-19(11,20)21/h4-5,7,11,14,24H,2-3,6,8-9H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 170347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).