N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide

C11H7BrCl2N2O — CID 114001899

IUPACN-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1
InChIInChI=1S/C11H7BrCl2N2O/c12-6-1-2-7(9(14)8(6)13)16-10(17)11(5-15)3-4-11/h1-2H,3-4H2,(H,16,17)
InChIKeyANNUQKYGRSFKPL-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.00
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide

N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 114001899) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID114001899
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1
InChIInChI=1S/C11H7BrCl2N2O/c12-6-1-2-7(9(14)8(6)13)16-10(17)11(5-15)3-4-11/h1-2H,3-4H2,(H,16,17)
InChIKeyANNUQKYGRSFKPL-UHFFFAOYSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromo-2,3-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114002064
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide (CID 114001899) is N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is ANNUQKYGRSFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c12-6-1-2-7(9(14)8(6)13)16-10(17)11(5-15)3-4-11/h1-2H,3-4H2,(H,16,17).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 334.00 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 114001899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).