N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide

C17H16BrN3O3 — CID 124626154

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-11-2-6-14(7-3-11)21-17(24)16(23)19-10-15(22)20-13-8-4-12(18)5-9-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAODNEWBWBXCKLQ-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide (PubChem CID 124626154) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
PubChem CID124626154
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-11-2-6-14(7-3-11)21-17(24)16(23)19-10-15(22)20-13-8-4-12(18)5-9-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAODNEWBWBXCKLQ-UHFFFAOYSA-N
XLogP2.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide (CID 124626154) is N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is AODNEWBWBXCKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11-2-6-14(7-3-11)21-17(24)16(23)19-10-15(22)20-13-8-4-12(18)5-9-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 390.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 124626154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).