2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide

C9H4Br2ClFN2O — CID 168521788

IUPAC2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1c(Cl)cc(Br)c(F)c1Br
InChIInChI=1S/C9H4Br2ClFN2O/c10-4-3-5(12)9(7(11)8(4)13)15-6(16)1-2-14/h3H,1H2,(H,15,16)
InChIKeyNAUUEPDPEAWPFH-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.86
Rot. Bonds2

About 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide

2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide (PubChem CID 168521788) has the molecular formula C9H4Br2ClFN2O and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
PubChem CID168521788
Molecular FormulaC9H4Br2ClFN2O
Molecular Weight370.40 g/mol
Exact Mass367.84
IUPAC Name2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
SMILESN#CCC(=O)Nc1c(Cl)cc(Br)c(F)c1Br
InChIInChI=1S/C9H4Br2ClFN2O/c10-4-3-5(12)9(7(11)8(4)13)15-6(16)1-2-14/h3H,1H2,(H,15,16)
InChIKeyNAUUEPDPEAWPFH-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
2-(2,4-dibromo-6-chloro-3-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168608107
N-(2-bromo-3,5-dichloro-4-fluorophenyl)-2-cyanoacetamide
CID 168522300
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
2-cyano-N-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168522275
N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
CID 168521238
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
CID 168520217
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide (CID 168521788) is 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide is N#CCC(=O)Nc1c(Cl)cc(Br)c(F)c1Br.
What is the InChIKey of 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide?
The InChIKey is NAUUEPDPEAWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2ClFN2O/c10-4-3-5(12)9(7(11)8(4)13)15-6(16)1-2-14/h3H,1H2,(H,15,16).
What are the key properties of 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide?
2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 168521788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).