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

C15H19NO2 — CID 100939210

IUPAC(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H19NO2/c1-18-13-6-4-12(5-7-13)16-15(17)14-9-10-2-3-11(14)8-10/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,16,17)/t10?,11-,14-/m1/s1
InChIKeyLCBYFNBVQMOBMR-MDLDFJCZSA-N
MW245.32 g/mol
LogP3.07
Rot. Bonds3

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

(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 100939210) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID100939210
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H19NO2/c1-18-13-6-4-12(5-7-13)16-15(17)14-9-10-2-3-11(14)8-10/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,16,17)/t10?,11-,14-/m1/s1
InChIKeyLCBYFNBVQMOBMR-MDLDFJCZSA-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

N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261801
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124860
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
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
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 100939210) is (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CC3CC[C@@H]2C3)cc1.
What is the InChIKey of (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LCBYFNBVQMOBMR-MDLDFJCZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-13-6-4-12(5-7-13)16-15(17)14-9-10-2-3-11(14)8-10/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,16,17)/t10?,11-,14-/m1/s1.
What are the key properties of (1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R)-N-(4-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)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 100939210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).