N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide

C15H18ClNO — CID 100631226

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18ClNO/c16-13-4-2-1-3-11(13)9-15(18)17-14-8-10-5-6-12(14)7-10/h1-4,10,12,14H,5-9H2,(H,17,18)/t10-,12-,14-/m1/s1
InChIKeyYZTPRVQANHRYST-MPKXVKKWSA-N
MW263.77 g/mol
LogP3.19
Rot. Bonds3

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide (PubChem CID 100631226) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
PubChem CID100631226
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18ClNO/c16-13-4-2-1-3-11(13)9-15(18)17-14-8-10-5-6-12(14)7-10/h1-4,10,12,14H,5-9H2,(H,17,18)/t10-,12-,14-/m1/s1
InChIKeyYZTPRVQANHRYST-MPKXVKKWSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11379742
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N-bicyclo[2.2.1]hept-2-yl-3-(4-chlorophenyl)acrylamide
CID 5736686
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N-bicyclo[2.2.1]hept-2-yl-2,6-dichlorobenzamide
CID 2851991
N-(3-bicyclo[2.2.1]heptanyl)-2-chlorobenzamide
CID 2898495
N-bicyclo[2.2.1]hept-2-yl-2-[(2-chlorobenzyl)sulfanyl]acetamide
CID 2899587
2-(4-chlorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2914671
2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 4137633
Cambridge id 5552146
CID 674220
N-[2-(3-chlorophenyl)ethyl]cyclohexanecarboxamide
CID 844434

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide (CID 100631226) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is YZTPRVQANHRYST-MPKXVKKWSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-13-4-2-1-3-11(13)9-15(18)17-14-8-10-5-6-12(14)7-10/h1-4,10,12,14H,5-9H2,(H,17,18)/t10-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 263.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 100631226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).