N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide

C14H15BrClNO — CID 81306954

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClNO/c15-11-4-3-10(7-12(11)16)14(18)17-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,17,18)
InChIKeyBRMGVLCUFDGJDH-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.02
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide (PubChem CID 81306954) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
PubChem CID81306954
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClNO/c15-11-4-3-10(7-12(11)16)14(18)17-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,17,18)
InChIKeyBRMGVLCUFDGJDH-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
CID 133178541
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
4-(3-aminoprop-1-ynyl)-N-(2-bicyclo[2.2.1]heptanyl)-3-chlorobenzamide
CID 81293727
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide (CID 81306954) is N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide is O=C(NC1CC2CCC1C2)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide?
The InChIKey is BRMGVLCUFDGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c15-11-4-3-10(7-12(11)16)14(18)17-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide has a molecular weight of 328.64 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).