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

C14H18ClFN2O2 — CID 47148084

IUPACN'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-3-4-5-8-17-13(19)14(20)18-12-7-6-10(15)9-11(12)16/h6-7,9H,2-5,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyWKQQOAGRYCDYEA-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.11
Rot. Bonds6

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

N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide (PubChem CID 47148084) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
PubChem CID47148084
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-3-4-5-8-17-13(19)14(20)18-12-7-6-10(15)9-11(12)16/h6-7,9H,2-5,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyWKQQOAGRYCDYEA-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.11
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'}

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Related Compounds

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-(5-hydroxypentyl)oxamide
CID 124624749
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
(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-hexyloxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide (CID 47148084) is N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide is CCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide?
The InChIKey is WKQQOAGRYCDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-3-4-5-8-17-13(19)14(20)18-12-7-6-10(15)9-11(12)16/h6-7,9H,2-5,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide?
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide has a molecular weight of 300.76 g/mol, XLogP of 3.11, 6 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-hexyloxamide is sourced from PubChem (CID 47148084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).