N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide

C16H21BrN2O2 — CID 124505043

IUPACN'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
SMILESCCC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-2-11-3-7-13(8-4-11)18-15(20)16(21)19-14-9-5-12(17)6-10-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyKIBZNIFPMKFZRK-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.47
Rot. Bonds3

About N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide

N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide (PubChem CID 124505043) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
PubChem CID124505043
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
SMILESCCC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-2-11-3-7-13(8-4-11)18-15(20)16(21)19-14-9-5-12(17)6-10-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyKIBZNIFPMKFZRK-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylcyclohexyl)-N'-(4-methoxyphenyl)oxamide
CID 124505093
N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
N-(4-ethylcyclohexyl)-2-hydrazinyl-2-oxoacetamide
CID 61468289
N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124670787
N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide
CID 123781511
2-[4-[2-(4-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 60512931
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide (CID 124505043) is N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide is CCC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide?
The InChIKey is KIBZNIFPMKFZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-2-11-3-7-13(8-4-11)18-15(20)16(21)19-14-9-5-12(17)6-10-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide?
N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide has a molecular weight of 353.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide is sourced from PubChem (CID 124505043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).