N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide

C17H16BrN3O3 — CID 3910644

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrN3O3/c1-11-3-2-4-14(9-11)21-17(24)16(23)19-10-15(22)20-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFBCLQWSOJVDIJU-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide (PubChem CID 3910644) 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'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
PubChem CID3910644
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrN3O3/c1-11-3-2-4-14(9-11)21-17(24)16(23)19-10-15(22)20-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFBCLQWSOJVDIJU-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'-(4-methylphenyl)oxamide
CID 124626154
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide (CID 3910644) is N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is FBCLQWSOJVDIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11-3-2-4-14(9-11)21-17(24)16(23)19-10-15(22)20-13-7-5-12(18)6-8-13/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'-(3-methylphenyl)oxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-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'-(3-methylphenyl)oxamide is sourced from PubChem (CID 3910644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).