4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide

C12H10BrFN2O — CID 63823444

IUPAC4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C12H10BrFN2O/c13-8-3-4-9(10(14)5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyQWUOZXGCJOPVHI-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.62
Rot. Bonds3

About 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide

4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide (PubChem CID 63823444) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
PubChem CID63823444
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C12H10BrFN2O/c13-8-3-4-9(10(14)5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyQWUOZXGCJOPVHI-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
CID 106852140
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 24690745

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide (CID 63823444) is 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide is N#CC(NC(=O)c1ccc(Br)cc1F)C1CC1.
What is the InChIKey of 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide?
The InChIKey is QWUOZXGCJOPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-8-3-4-9(10(14)5-8)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17).
What are the key properties of 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide?
4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide has a molecular weight of 297.13 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 63823444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).