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

C18H23Cl2NO2 — CID 98193770

IUPAC(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C18H23Cl2NO2/c1-10(15-8-12-3-4-13(15)7-12)21-18(22)11(2)23-17-6-5-14(19)9-16(17)20/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11-,12-,13-,15-/m1/s1
InChIKeyVCTLNUYPMBPRDQ-FTQJZPFOSA-N
MW356.29 g/mol
LogP4.70
Rot. Bonds5

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

(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 98193770) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID98193770
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C18H23Cl2NO2/c1-10(15-8-12-3-4-13(15)7-12)21-18(22)11(2)23-17-6-5-14(19)9-16(17)20/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11-,12-,13-,15-/m1/s1
InChIKeyVCTLNUYPMBPRDQ-FTQJZPFOSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide with MolForge

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylphenoxy)propanamide
CID 124713228
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
(2S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 124823605
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 98606828
(2R)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-nitrophenoxy)propanamide
CID 98310942
(2S)-N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 27059827
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide (CID 98193770) is (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is VCTLNUYPMBPRDQ-FTQJZPFOSA-N. The full InChI is InChI=1S/C18H23Cl2NO2/c1-10(15-8-12-3-4-13(15)7-12)21-18(22)11(2)23-17-6-5-14(19)9-16(17)20/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,22)/t10-,11-,12-,13-,15-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 356.29 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 98193770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).