N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide

C13H16ClFN2O3 — CID 124624749

IUPACN'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O3/c14-9-4-5-11(10(15)8-9)17-13(20)12(19)16-6-2-1-3-7-18/h4-5,8,18H,1-3,6-7H2,(H,16,19)(H,17,20)
InChIKeyGSNABKYCUYWYAO-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.70
Rot. Bonds6

About N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide

N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide (PubChem CID 124624749) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
PubChem CID124624749
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O3/c14-9-4-5-11(10(15)8-9)17-13(20)12(19)16-6-2-1-3-7-18/h4-5,8,18H,1-3,6-7H2,(H,16,19)(H,17,20)
InChIKeyGSNABKYCUYWYAO-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.70
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-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide (CID 124624749) is N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide is O=C(NCCCCCO)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is GSNABKYCUYWYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c14-9-4-5-11(10(15)8-9)17-13(20)12(19)16-6-2-1-3-7-18/h4-5,8,18H,1-3,6-7H2,(H,16,19)(H,17,20).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide?
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 302.73 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 124624749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).