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

C15H19NO — CID 11878067

IUPAC(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NO/c1-10-4-2-3-5-14(10)16-15(17)13-9-11-6-7-12(13)8-11/h2-5,11-13H,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyRSWKFXLPMLGHIL-YNEHKIRRSA-N
MW229.32 g/mol
LogP3.37
Rot. Bonds2

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

(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11878067) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11878067
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NO/c1-10-4-2-3-5-14(10)16-15(17)13-9-11-6-7-12(13)8-11/h2-5,11-13H,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1
InChIKeyRSWKFXLPMLGHIL-YNEHKIRRSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7083370
methyl 3-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-4-methylbenzoate
CID 98434592
(1S,2S,4S)-N-(2-methyl-5-sulfamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079751
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 11878067) is (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RSWKFXLPMLGHIL-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-4-2-3-5-14(10)16-15(17)13-9-11-6-7-12(13)8-11/h2-5,11-13H,6-9H2,1H3,(H,16,17)/t11-,12+,13+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11878067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).