N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide

C14H19FN2O3 — CID 124624751

IUPACN'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NCCCCCO
InChIInChI=1S/C14H19FN2O3/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyKYAJNNJMSOBJRO-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds6

About N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide

N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide (PubChem CID 124624751) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
PubChem CID124624751
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NCCCCCO
InChIInChI=1S/C14H19FN2O3/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyKYAJNNJMSOBJRO-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
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'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide (CID 124624751) is N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide is Cc1cc(F)ccc1NC(=O)C(=O)NCCCCCO.
What is the InChIKey of N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is KYAJNNJMSOBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide?
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 282.31 g/mol, XLogP of 1.35, 6 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-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 124624751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).