N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

C15H20ClFN2O3 — CID 111121347

IUPACN-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H20ClFN2O3/c1-2-3-4-7-19(8-9-20)15(22)14(21)18-11-5-6-12(16)13(17)10-11/h5-6,10,20H,2-4,7-9H2,1H3,(H,18,21)
InChIKeyBMJCDRNVPIMRTG-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.43
Rot. Bonds7

About N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (PubChem CID 111121347) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
PubChem CID111121347
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC NameN-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H20ClFN2O3/c1-2-3-4-7-19(8-9-20)15(22)14(21)18-11-5-6-12(16)13(17)10-11/h5-6,10,20H,2-4,7-9H2,1H3,(H,18,21)
InChIKeyBMJCDRNVPIMRTG-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.43
H-Bond Donors ≤ 52
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-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121343
N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121338
N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
CID 108512726
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
3-(3,4-dichlorophenyl)-1,1-dipentylthiourea
CID 19653299
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798976
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (CID 111121347) is N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is CCCCCN(CCO)C(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The InChIKey is BMJCDRNVPIMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c1-2-3-4-7-19(8-9-20)15(22)14(21)18-11-5-6-12(16)13(17)10-11/h5-6,10,20H,2-4,7-9H2,1H3,(H,18,21).
What are the key properties of N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide has a molecular weight of 330.79 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is sourced from PubChem (CID 111121347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).