N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C13H17FN2O3 — CID 47669822

IUPACN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCc1ccc(F)cc1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C13H17FN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-10(14)4-3-9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDLUXKPLPCKBCMS-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.82
Rot. Bonds4

About N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669822) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669822
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCc1ccc(F)cc1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C13H17FN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-10(14)4-3-9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDLUXKPLPCKBCMS-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 47148013
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide
CID 111491045
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 96566270
N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669560
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669822) is N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is Cc1ccc(F)cc1NC(=O)C(=O)NCC(C)CO.
What is the InChIKey of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is DLUXKPLPCKBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-10(14)4-3-9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 268.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).