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

C15H19NO2 — CID 11878071

IUPAC(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H19NO2/c1-18-13-4-2-3-12(9-13)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17)/t10-,11+,14+/m0/s1
InChIKeyGNAQMRMBERVCSE-MISXGVKJSA-N
MW245.32 g/mol
LogP3.07
Rot. Bonds3

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

(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11878071) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11878071
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H19NO2/c1-18-13-4-2-3-12(9-13)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17)/t10-,11+,14+/m0/s1
InChIKeyGNAQMRMBERVCSE-MISXGVKJSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
ethyl 2-[3-[[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]phenoxy]acetate
CID 129377005
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43601787
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261801
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
6-[(3-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 4744744
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 7942231
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 11919190

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 11878071) is (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is COc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1.
What is the InChIKey of (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GNAQMRMBERVCSE-MISXGVKJSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-13-4-2-3-12(9-13)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17)/t10-,11+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11878071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).