(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H16BrNO — CID 6952490

IUPAC(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H16BrNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17)/t9-,10-,11-/m1/s1
InChIKeyQEYVKPIUSUXVTC-GMTAPVOTSA-N
MW294.19 g/mol
LogP3.82
Rot. Bonds2

About (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 6952490) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID6952490
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H16BrNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17)/t9-,10-,11-/m1/s1
InChIKeyQEYVKPIUSUXVTC-GMTAPVOTSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-bromobenzoic acid
CID 107812376
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1S,2R,4S)-N-(5-bromo-2-iodophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98753327
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 6952490) is (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QEYVKPIUSUXVTC-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-4,9-11H,5-8H2,(H,16,17)/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 6952490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).