(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide

C24H23F2NO3 — CID 172653227

IUPAC(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide
SMILES[2H]c1c([2H])c(C(O)CC[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc2)c([2H])c([2H])c1F
InChIInChI=1S/C24H23F2NO3/c25-19-6-3-17(4-7-19)23(29)14-5-18(15-16-1-12-22(28)13-2-16)24(30)27-21-10-8-20(26)9-11-21/h1-4,6-13,18,23,28-29H,5,14-15H2,(H,27,30)/t18-,23?/m1/s1/i3D,4D,6D,7D
InChIKeyCJMGACWDXHCPAC-LIDIDTMHSA-N
MW415.47 g/mol
LogP4.98
Rot. Bonds8

About (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide

(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide (PubChem CID 172653227) has the molecular formula C24H23F2NO3 and a molecular weight of 415.47 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide
PubChem CID172653227
Molecular FormulaC24H23F2NO3
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide
SMILES[2H]c1c([2H])c(C(O)CC[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc2)c([2H])c([2H])c1F
InChIInChI=1S/C24H23F2NO3/c25-19-6-3-17(4-7-19)23(29)14-5-18(15-16-1-12-22(28)13-2-16)24(30)27-21-10-8-20(26)9-11-21/h1-4,6-13,18,23,28-29H,5,14-15H2,(H,27,30)/t18-,23?/m1/s1/i3D,4D,6D,7D
InChIKeyCJMGACWDXHCPAC-LIDIDTMHSA-N
XLogP4.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(1S,4R)-1-(4-fluorophenyl)-4-[(S)-(4-hydroxyphenyl)-(2,3,5,6-tetradeuterio-4-fluoroanilino)methyl]pentane-1,5-diol
CID 169440377
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(3R)-3-[(3,5-dimethylphenyl)methyl]-4-(4-fluoroanilino)-4-oxobutanoate
CID 7387430
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-(4-ethylphenyl)-2-fluoro-N-(4-hydroxyphenyl)acetamide
CID 151497177
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 56966632
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide (CID 172653227) is (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide is [2H]c1c([2H])c(C(O)CC[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc2)c([2H])c([2H])c1F.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide?
The InChIKey is CJMGACWDXHCPAC-LIDIDTMHSA-N. The full InChI is InChI=1S/C24H23F2NO3/c25-19-6-3-17(4-7-19)23(29)14-5-18(15-16-1-12-22(28)13-2-16)24(30)27-21-10-8-20(26)9-11-21/h1-4,6-13,18,23,28-29H,5,14-15H2,(H,27,30)/t18-,23?/m1/s1/i3D,4D,6D,7D.
What are the key properties of (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide?
(2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide has a molecular weight of 415.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)pentanamide is sourced from PubChem (CID 172653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).