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

C16H21NO — CID 7448839

IUPAC(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO/c1-2-12-5-3-4-6-15(12)17-16(18)14-10-11-7-8-13(14)9-11/h3-6,11,13-14H,2,7-10H2,1H3,(H,17,18)/t11-,13-,14+/m0/s1
InChIKeyNRSVTLCAUHRCIH-FPMFFAJLSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds3

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

(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7448839) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7448839
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO/c1-2-12-5-3-4-6-15(12)17-16(18)14-10-11-7-8-13(14)9-11/h3-6,11,13-14H,2,7-10H2,1H3,(H,17,18)/t11-,13-,14+/m0/s1
InChIKeyNRSVTLCAUHRCIH-FPMFFAJLSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(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
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 7448839) is (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NRSVTLCAUHRCIH-FPMFFAJLSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-12-5-3-4-6-15(12)17-16(18)14-10-11-7-8-13(14)9-11/h3-6,11,13-14H,2,7-10H2,1H3,(H,17,18)/t11-,13-,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7448839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).