N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide

C16H20ClNO — CID 95118659

IUPACN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H20ClNO/c17-14-4-2-1-3-12(14)7-8-16(19)18-15-10-11-5-6-13(15)9-11/h1-4,11,13,15H,5-10H2,(H,18,19)/t11-,13+,15-/m0/s1
InChIKeyDUQJWIPSEZYZQQ-LNSITVRQSA-N
MW277.79 g/mol
LogP3.58
Rot. Bonds4

About N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide (PubChem CID 95118659) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
PubChem CID95118659
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H20ClNO/c17-14-4-2-1-3-12(14)7-8-16(19)18-15-10-11-5-6-13(15)9-11/h1-4,11,13,15H,5-10H2,(H,18,19)/t11-,13+,15-/m0/s1
InChIKeyDUQJWIPSEZYZQQ-LNSITVRQSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
CID 100605785
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
CID 2899831
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
CID 41455014
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283589
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)acetamide
CID 976012
3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340181

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide (CID 95118659) is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide is O=C(CCc1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide?
The InChIKey is DUQJWIPSEZYZQQ-LNSITVRQSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-14-4-2-1-3-12(14)7-8-16(19)18-15-10-11-5-6-13(15)9-11/h1-4,11,13,15H,5-10H2,(H,18,19)/t11-,13+,15-/m0/s1.
What are the key properties of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide?
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide has a molecular weight of 277.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 95118659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).