N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide

C12H15FN2O3 — CID 110933503

IUPACN'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCO)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-8-7-9(3-4-10(8)13)15-12(18)11(17)14-5-2-6-16/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyZQQVRMSZQOLUJS-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.57
Rot. Bonds4

About N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide

N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 110933503) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
PubChem CID110933503
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCO)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-8-7-9(3-4-10(8)13)15-12(18)11(17)14-5-2-6-16/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyZQQVRMSZQOLUJS-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide (CID 110933503) is N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide is Cc1cc(NC(=O)C(=O)NCCCO)ccc1F.
What is the InChIKey of N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is ZQQVRMSZQOLUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8-7-9(3-4-10(8)13)15-12(18)11(17)14-5-2-6-16/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide?
N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 254.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 110933503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).