2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C17H21Br2NO — CID 107951697

IUPAC2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(Br)cc1Br)C2
InChIInChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-5-4-11(18)9-13(12)19/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21)
InChIKeySTFFANOVDBEQET-UHFFFAOYSA-N
MW415.17 g/mol
LogP5.16
Rot. Bonds2

About 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 107951697) has the molecular formula C17H21Br2NO and a molecular weight of 415.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID107951697
Molecular FormulaC17H21Br2NO
Molecular Weight415.17 g/mol
Exact Mass413.00
IUPAC Name2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(Br)cc1Br)C2
InChIInChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-5-4-11(18)9-13(12)19/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21)
InChIKeySTFFANOVDBEQET-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.17
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60667301
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63427171
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
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
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4,5-difluoro-2-nitro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 75417753
3-formamido-2-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 90024528
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,5-dibromobenzoate
CID 114374059
5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide
CID 177406871

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 107951697) is 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC1(C)C2CCC1(C)C(NC(=O)c1ccc(Br)cc1Br)C2.
What is the InChIKey of 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is STFFANOVDBEQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(16,3)14(8-10)20-15(21)12-5-4-11(18)9-13(12)19/h4-5,9-10,14H,6-8H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 415.17 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 107951697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).