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

C13H16ClFN2O2 — CID 44999477

IUPACN'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-3-4-7-16-12(18)13(19)17-11-6-5-9(14)8-10(11)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyDBWIWRLBOKCWCP-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.72
Rot. Bonds5

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

N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide (PubChem CID 44999477) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
PubChem CID44999477
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-3-4-7-16-12(18)13(19)17-11-6-5-9(14)8-10(11)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyDBWIWRLBOKCWCP-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide (CID 44999477) is N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide?
The InChIKey is DBWIWRLBOKCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-2-3-4-7-16-12(18)13(19)17-11-6-5-9(14)8-10(11)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide?
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide has a molecular weight of 286.73 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide is sourced from PubChem (CID 44999477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).