(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H16BrNO — CID 98187162

IUPAC(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C15H16BrNO/c16-10-3-1-2-4-11(10)17-15(18)14-12-8-5-6-9(7-8)13(12)14/h1-4,8-9,12-14H,5-7H2,(H,17,18)/t8-,9-,12+,13+/m1/s1
InChIKeyRSJIBLVDPKATHW-PNZRWIHMSA-N
MW306.20 g/mol
LogP3.68
Rot. Bonds2

About (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98187162) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98187162
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C15H16BrNO/c16-10-3-1-2-4-11(10)17-15(18)14-12-8-5-6-9(7-8)13(12)14/h1-4,8-9,12-14H,5-7H2,(H,17,18)/t8-,9-,12+,13+/m1/s1
InChIKeyRSJIBLVDPKATHW-PNZRWIHMSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
(1R,2R,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052094
(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052092
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
(1R,2R,3S,4S)-3-[(2-bromophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557998
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98187162) is (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1ccccc1Br)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is RSJIBLVDPKATHW-PNZRWIHMSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-10-3-1-2-4-11(10)17-15(18)14-12-8-5-6-9(7-8)13(12)14/h1-4,8-9,12-14H,5-7H2,(H,17,18)/t8-,9-,12+,13+/m1/s1.
What are the key properties of (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 306.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).