N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H19NO2 — CID 64793995

IUPACN-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H19NO2/c1-9-13(3-2-4-14(9)17)16-15(18)12-8-10-5-6-11(12)7-10/h2-4,10-12,17H,5-8H2,1H3,(H,16,18)
InChIKeyKEKRWOMWIKLPPJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds2

About N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 64793995) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID64793995
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1c(O)cccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H19NO2/c1-9-13(3-2-4-14(9)17)16-15(18)12-8-10-5-6-11(12)7-10/h2-4,10-12,17H,5-8H2,1H3,(H,16,18)
InChIKeyKEKRWOMWIKLPPJ-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(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
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5-methylbenzoic acid
CID 98115664
(1S,2S,4S)-N-(2-methyl-5-sulfamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079751

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 64793995) is N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1c(O)cccc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KEKRWOMWIKLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-13(3-2-4-14(9)17)16-15(18)12-8-10-5-6-11(12)7-10/h2-4,10-12,17H,5-8H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 64793995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).