N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

C18H19FN2O4 — CID 95299337

IUPACN-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C18H19FN2O4/c1-10-8-12(19)4-6-15(10)21-18(24)17(23)20-11(2)14-9-13(25-3)5-7-16(14)22/h4-9,11,22H,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeySIIGYRBXHGZYPP-LLVKDONJSA-N
MW346.36 g/mol
LogP2.66
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (PubChem CID 95299337) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
PubChem CID95299337
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C18H19FN2O4/c1-10-8-12(19)4-6-15(10)21-18(24)17(23)20-11(2)14-9-13(25-3)5-7-16(14)22/h4-9,11,22H,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeySIIGYRBXHGZYPP-LLVKDONJSA-N
XLogP2.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572852
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95316895
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572838
N-(3-cyanophenyl)-N'-[1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 56801346
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
N-(3,5-difluorophenyl)-N'-[1-(2,4-dimethoxyphenyl)ethyl]oxamide
CID 56795739

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (CID 95299337) is N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The InChIKey is SIIGYRBXHGZYPP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-10-8-12(19)4-6-15(10)21-18(24)17(23)20-11(2)14-9-13(25-3)5-7-16(14)22/h4-9,11,22H,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide has a molecular weight of 346.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 95299337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).