2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C17H21BrFNO — CID 60667301

IUPAC2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cc(F)ccc1Br)C2
InChIInChI=1S/C17H21BrFNO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-9-11(19)4-5-13(12)18/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21)
InChIKeyWZQKMVVNNNWWJU-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.53
Rot. Bonds2

About 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 60667301) has the molecular formula C17H21BrFNO and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID60667301
Molecular FormulaC17H21BrFNO
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cc(F)ccc1Br)C2
InChIInChI=1S/C17H21BrFNO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-9-11(19)4-5-13(12)18/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21)
InChIKeyWZQKMVVNNNWWJU-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949
4,5-difluoro-2-nitro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 75417753
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
CID 55026651
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
3-formamido-2-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 90024528
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55687433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 60667301) is 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC1(C)C2CCC1(C)C(NC(=O)c1cc(F)ccc1Br)C2.
What is the InChIKey of 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is WZQKMVVNNNWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-9-11(19)4-5-13(12)18/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21).
What are the key properties of 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 354.26 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 60667301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).