N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide

C16H14BrClN2O2 — CID 108986546

IUPACN'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
SMILESO=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-12-4-6-14(7-5-12)20-16(22)15(21)19-9-8-11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyGLICBQUCROJROZ-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.40
Rot. Bonds4

About N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide

N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide (PubChem CID 108986546) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
PubChem CID108986546
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
SMILESO=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-12-4-6-14(7-5-12)20-16(22)15(21)19-9-8-11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyGLICBQUCROJROZ-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.40
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-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
2-(3-chlorophenyl)ethylurea
CID 127513466
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
4-[2-(3-chlorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991414

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide (CID 108986546) is N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide is O=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide?
The InChIKey is GLICBQUCROJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c17-12-4-6-14(7-5-12)20-16(22)15(21)19-9-8-11-2-1-3-13(18)10-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide?
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide has a molecular weight of 381.66 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide is sourced from PubChem (CID 108986546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).