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

C15H21FN2O3 — CID 111456252

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

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

N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide (PubChem CID 111456252) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
PubChem CID111456252
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)CC(C)O)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-9-4-5-13(12(16)7-9)18-15(21)14(20)17-8-10(2)6-11(3)19/h4-5,7,10-11,19H,6,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyZPJBTTACGBFAEE-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'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 111456232
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
CID 111439190
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
CID 47032291
N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95351012

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide (CID 111456252) is N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide.
What is the SMILES notation for N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The canonical SMILES for N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)CC(C)O)c(F)c1.
What is the InChIKey of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The InChIKey is ZPJBTTACGBFAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9-4-5-13(12(16)7-9)18-15(21)14(20)17-8-10(2)6-11(3)19/h4-5,7,10-11,19H,6,8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-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'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide is sourced from PubChem (CID 111456252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).