N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

C16H23FN2O3 — CID 111490740

IUPACN'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H23FN2O3/c1-10-7-12(17)5-6-13(10)19-15(22)14(21)18-9-16(3,4)8-11(2)20/h5-7,11,20H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHXDKYCZQPUQDQD-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.99
Rot. Bonds5

About N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (PubChem CID 111490740) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
PubChem CID111490740
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H23FN2O3/c1-10-7-12(17)5-6-13(10)19-15(22)14(21)18-9-16(3,4)8-11(2)20/h5-7,11,20H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHXDKYCZQPUQDQD-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide 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

N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111468002
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (CID 111490740) is N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.
What is the SMILES notation for N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The canonical SMILES for N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is Cc1cc(F)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)O.
What is the InChIKey of N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The InChIKey is HXDKYCZQPUQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10-7-12(17)5-6-13(10)19-15(22)14(21)18-9-16(3,4)8-11(2)20/h5-7,11,20H,8-9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide has a molecular weight of 310.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is sourced from PubChem (CID 111490740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).