2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide

C24H19BrN4O4 — CID 46937202

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H19BrN4O4/c25-17-7-11-19(12-8-17)29-23(31)15-33-21-4-2-1-3-20(21)24(32)27-14-22(30)28-18-9-5-16(13-26)6-10-18/h1-12H,14-15H2,(H,27,32)(H,28,30)(H,29,31)
InChIKeyRATQPBDMSDFQAY-UHFFFAOYSA-N
MW507.34 g/mol
LogP3.71
Rot. Bonds8

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide (PubChem CID 46937202) has the molecular formula C24H19BrN4O4 and a molecular weight of 507.34 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
PubChem CID46937202
Molecular FormulaC24H19BrN4O4
Molecular Weight507.34 g/mol
Exact Mass506.06
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H19BrN4O4/c25-17-7-11-19(12-8-17)29-23(31)15-33-21-4-2-1-3-20(21)24(32)27-14-22(30)28-18-9-5-16(13-26)6-10-18/h1-12H,14-15H2,(H,27,32)(H,28,30)(H,29,31)
InChIKeyRATQPBDMSDFQAY-UHFFFAOYSA-N
XLogP3.71
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.34
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
CID 8866379
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide (CID 46937202) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide is N#Cc1ccc(NC(=O)CNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide?
The InChIKey is RATQPBDMSDFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O4/c25-17-7-11-19(12-8-17)29-23(31)15-33-21-4-2-1-3-20(21)24(32)27-14-22(30)28-18-9-5-16(13-26)6-10-18/h1-12H,14-15H2,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide has a molecular weight of 507.34 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46937202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).