2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile

C15H11BrCl2N2 — CID 106817643

IUPAC2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N2/c1-9-2-3-10(6-14(9)18)15(8-19)20-11-4-5-13(17)12(16)7-11/h2-7,15,20H,1H3
InChIKeyIPGZLSYXPDDRNN-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.74
Rot. Bonds3

About 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile

2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile (PubChem CID 106817643) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile
PubChem CID106817643
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N2/c1-9-2-3-10(6-14(9)18)15(8-19)20-11-4-5-13(17)12(16)7-11/h2-7,15,20H,1H3
InChIKeyIPGZLSYXPDDRNN-UHFFFAOYSA-N
XLogP5.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-(4-chloroanilino)acetonitrile
CID 66480567
2-(3-bromo-4-chloroanilino)-2-(4-bromo-5-methylthiophen-2-yl)acetonitrile
CID 102840453
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
CID 54886362
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148
2-chloro-2-(3-chloro-4-methylphenyl)acetonitrile
CID 106818229
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
2-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 65026574
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile (CID 106817643) is 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile is Cc1ccc(C(C#N)Nc2ccc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile?
The InChIKey is IPGZLSYXPDDRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c1-9-2-3-10(6-14(9)18)15(8-19)20-11-4-5-13(17)12(16)7-11/h2-7,15,20H,1H3.
What are the key properties of 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile?
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile has a molecular weight of 370.08 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile is sourced from PubChem (CID 106817643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).