N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

C15H21FN2O3 — CID 111490783

IUPACN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
SMILESCc1ccc(F)cc1NC(=O)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H21FN2O3/c1-9(2)13(19)6-7-17-14(20)15(21)18-12-8-11(16)5-4-10(12)3/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBDPZPALLOQCJAW-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.60
Rot. Bonds5

About N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (PubChem CID 111490783) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
PubChem CID111490783
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
SMILESCc1ccc(F)cc1NC(=O)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H21FN2O3/c1-9(2)13(19)6-7-17-14(20)15(21)18-12-8-11(16)5-4-10(12)3/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBDPZPALLOQCJAW-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.60
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-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 47148013
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
1-(2-cyano-4-fluorophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111926832
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide (CID 111490783) is N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide.
What is the SMILES notation for N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The canonical SMILES for N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide is Cc1ccc(F)cc1NC(=O)C(=O)NCCC(O)C(C)C.
What is the InChIKey of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
The InChIKey is BDPZPALLOQCJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(2)13(19)6-7-17-14(20)15(21)18-12-8-11(16)5-4-10(12)3/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide?
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide has a molecular weight of 296.34 g/mol, XLogP of 1.60, 5 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-4-methylpentyl)oxamide is sourced from PubChem (CID 111490783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).