N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide

C21H33ClN2O2 — CID 124529536

IUPACN'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-15-23-20(25)21(26)24-18-14-13-17(2)19(22)16-18/h13-14,16H,3-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWSLBDWCAWODGPZ-UHFFFAOYSA-N
MW380.96 g/mol
LogP5.62
Rot. Bonds12

About N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide

N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide (PubChem CID 124529536) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
PubChem CID124529536
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-15-23-20(25)21(26)24-18-14-13-17(2)19(22)16-18/h13-14,16H,3-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWSLBDWCAWODGPZ-UHFFFAOYSA-N
XLogP5.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.96
LogP ≤ 55.62
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-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
1-decyl-3-(3,4-dichlorophenyl)thiourea
CID 19651195
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide (CID 124529536) is N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide is CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide?
The InChIKey is WSLBDWCAWODGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-15-23-20(25)21(26)24-18-14-13-17(2)19(22)16-18/h13-14,16H,3-12,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide?
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide has a molecular weight of 380.96 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide is sourced from PubChem (CID 124529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).