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

C15H19NO — CID 100939209

IUPAC(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H19NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3,(H,16,17)/t11?,12-,14+/m1/s1
InChIKeyCSXJSMPOTUWCIM-AOUZGSJDSA-N
MW229.32 g/mol
LogP3.37
Rot. Bonds2

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

(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 100939209) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID100939209
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H19NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3,(H,16,17)/t11?,12-,14+/m1/s1
InChIKeyCSXJSMPOTUWCIM-AOUZGSJDSA-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

(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
ethyl 4-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 7302295
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7102723
N-[4-(2-bromoethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114310290
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 100939209) is (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CC3CC[C@@H]2C3)cc1.
What is the InChIKey of (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CSXJSMPOTUWCIM-AOUZGSJDSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3,(H,16,17)/t11?,12-,14+/m1/s1.
What are the key properties of (1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S)-N-(4-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,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 100939209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).