N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide

C10H8BrFN2O — CID 115664983

IUPACN-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN2O/c1-6(5-13)10(15)14-7-2-3-9(12)8(11)4-7/h2-4,6H,1H3,(H,14,15)
InChIKeyNTLSJRZNDQKFNQ-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.69
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide

N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide (PubChem CID 115664983) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
PubChem CID115664983
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN2O/c1-6(5-13)10(15)14-7-2-3-9(12)8(11)4-7/h2-4,6H,1H3,(H,14,15)
InChIKeyNTLSJRZNDQKFNQ-UHFFFAOYSA-N
XLogP2.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-(3-bromo-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168600572
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-cyano-N-(2,4-difluorophenyl)propanamide
CID 55208250
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-bromo-4-fluorophenyl)-2-carbamothioylbutanamide
CID 104779003
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide (CID 115664983) is N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide is CC(C#N)C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide?
The InChIKey is NTLSJRZNDQKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6(5-13)10(15)14-7-2-3-9(12)8(11)4-7/h2-4,6H,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide?
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide has a molecular weight of 271.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide is sourced from PubChem (CID 115664983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).