(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 11905183

IUPAC(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18)/t12-,13+,15-/m0/s1
InChIKeyWIUIFGQEVWZRCG-GUTXKFCHSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds2

About (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11905183) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11905183
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18)/t12-,13+,15-/m0/s1
InChIKeyWIUIFGQEVWZRCG-GUTXKFCHSA-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 ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
(1R,2R,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278427
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 11905183) is (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1.
What is the InChIKey of (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WIUIFGQEVWZRCG-GUTXKFCHSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18)/t12-,13+,15-/m0/s1.
What are the key properties of (1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 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)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).