N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide

C10H5BrClN3O — CID 168523742

IUPACN-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1c(Cl)ccc(Br)c1C#N
InChIInChI=1S/C10H5BrClN3O/c11-7-1-2-8(12)10(6(7)5-14)15-9(16)3-4-13/h1-2H,3H2,(H,15,16)
InChIKeyOSKLYEAIWIMDKA-UHFFFAOYSA-N
MW298.53 g/mol
LogP2.83
Rot. Bonds2

About N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide

N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide (PubChem CID 168523742) has the molecular formula C10H5BrClN3O and a molecular weight of 298.53 g/mol. Its IUPAC name is N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
PubChem CID168523742
Molecular FormulaC10H5BrClN3O
Molecular Weight298.53 g/mol
Exact Mass296.93
IUPAC NameN-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1c(Cl)ccc(Br)c1C#N
InChIInChI=1S/C10H5BrClN3O/c11-7-1-2-8(12)10(6(7)5-14)15-9(16)3-4-13/h1-2H,3H2,(H,15,16)
InChIKeyOSKLYEAIWIMDKA-UHFFFAOYSA-N
XLogP2.83
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 168521011
N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
CID 168521238
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
CID 168523926
methyl 2-(3-bromo-6-chloro-2-cyanophenyl)acetate
CID 131434355
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide (CID 168523742) is N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1c(Cl)ccc(Br)c1C#N.
What is the InChIKey of N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide?
The InChIKey is OSKLYEAIWIMDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O/c11-7-1-2-8(12)10(6(7)5-14)15-9(16)3-4-13/h1-2H,3H2,(H,15,16).
What are the key properties of N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide?
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide has a molecular weight of 298.53 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide is sourced from PubChem (CID 168523742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).