2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide

C15H11Br2N3O — CID 78994184

IUPAC2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O/c16-11-1-4-13(5-2-11)20-15(21)9-19-14-6-3-12(17)7-10(14)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyDQRLXFGAVRAECX-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide

2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide (PubChem CID 78994184) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
PubChem CID78994184
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC Name2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O/c16-11-1-4-13(5-2-11)20-15(21)9-19-14-6-3-12(17)7-10(14)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyDQRLXFGAVRAECX-UHFFFAOYSA-N
XLogP4.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
2-(2-bromo-4-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 107789712
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid
CID 82704504

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide (CID 78994184) is 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide is N#Cc1cc(Br)ccc1NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is DQRLXFGAVRAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c16-11-1-4-13(5-2-11)20-15(21)9-19-14-6-3-12(17)7-10(14)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide?
2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide has a molecular weight of 409.08 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 78994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).