N'-(4-bromo-2-methylphenyl)-N-hexyloxamide

C15H21BrN2O2 — CID 47148018

IUPACN'-(4-bromo-2-methylphenyl)-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H21BrN2O2/c1-3-4-5-6-9-17-14(19)15(20)18-13-8-7-12(16)10-11(13)2/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCIOICCKFNBCPRX-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.39
Rot. Bonds6

About N'-(4-bromo-2-methylphenyl)-N-hexyloxamide

N'-(4-bromo-2-methylphenyl)-N-hexyloxamide (PubChem CID 47148018) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-hexyloxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-hexyloxamide
PubChem CID47148018
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H21BrN2O2/c1-3-4-5-6-9-17-14(19)15(20)18-13-8-7-12(16)10-11(13)2/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCIOICCKFNBCPRX-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.39
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-bromo-2-methylphenyl)octanamide
CID 4582485
4-bromo-N-heptyl-2-methylaniline
CID 43129195
methyl 6-[(4-bromo-2-methylphenyl)carbamothioylamino]hexanoate
CID 8682365
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-hexyloxamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-hexyloxamide (CID 47148018) is N'-(4-bromo-2-methylphenyl)-N-hexyloxamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-hexyloxamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-hexyloxamide is CCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-hexyloxamide?
The InChIKey is CIOICCKFNBCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-4-5-6-9-17-14(19)15(20)18-13-8-7-12(16)10-11(13)2/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-hexyloxamide?
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide has a molecular weight of 341.25 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-hexyloxamide is sourced from PubChem (CID 47148018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).