(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C23H23F3N2O5 — CID 166853448

IUPAC(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(F)c(C)c1)NC(=O)[C@H]1C[C@@H](O)c2cc(F)c(F)cc2O1
InChIInChI=1S/C23H23F3N2O5/c1-12-7-14(3-4-16(12)24)32-11-22(30)27-6-5-13(2)28-23(31)21-10-19(29)15-8-17(25)18(26)9-20(15)33-21/h3-4,7-9,19,21,29H,2,5-6,10-11H2,1H3,(H,27,30)(H,28,31)/t19-,21-/m1/s1
InChIKeyLPSHKZHOIOQUKL-TZIWHRDSSA-N
MW464.44 g/mol
LogP2.81
Rot. Bonds8

About (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 166853448) has the molecular formula C23H23F3N2O5 and a molecular weight of 464.44 g/mol. Its IUPAC name is (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID166853448
Molecular FormulaC23H23F3N2O5
Molecular Weight464.44 g/mol
Exact Mass464.16
IUPAC Name(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(F)c(C)c1)NC(=O)[C@H]1C[C@@H](O)c2cc(F)c(F)cc2O1
InChIInChI=1S/C23H23F3N2O5/c1-12-7-14(3-4-16(12)24)32-11-22(30)27-6-5-13(2)28-23(31)21-10-19(29)15-8-17(25)18(26)9-20(15)33-21/h3-4,7-9,19,21,29H,2,5-6,10-11H2,1H3,(H,27,30)(H,28,31)/t19-,21-/m1/s1
InChIKeyLPSHKZHOIOQUKL-TZIWHRDSSA-N
XLogP2.81
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-6-chloro-N-[3-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 174169637
N-[3-[2-[(2S,4S)-6,7-difluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 163611546
(2S,4S)-7-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163863070
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(2-methylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155717118
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 174169074
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
(2S)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 166853507
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 166853455
(2R,4R)-6-chloro-N-[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155256995
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388
(2R,4R)-6-chloro-N-[4-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155263193
(2R,4R)-6-chloro-4-hydroxy-N-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]but-3-enyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155263195

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 166853448) is (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is C=C(CCNC(=O)COc1ccc(F)c(C)c1)NC(=O)[C@H]1C[C@@H](O)c2cc(F)c(F)cc2O1.
What is the InChIKey of (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is LPSHKZHOIOQUKL-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H23F3N2O5/c1-12-7-14(3-4-16(12)24)32-11-22(30)27-6-5-13(2)28-23(31)21-10-19(29)15-8-17(25)18(26)9-20(15)33-21/h3-4,7-9,19,21,29H,2,5-6,10-11H2,1H3,(H,27,30)(H,28,31)/t19-,21-/m1/s1.
What are the key properties of (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6,7-difluoro-N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 166853448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).