(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide

C18H24Cl2N2O — CID 2480527

IUPAC(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](N[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C18H24Cl2N2O/c1-10(17-6-12-3-4-13(17)5-12)21-11(2)18(23)22-16-8-14(19)7-15(20)9-16/h7-13,17,21H,3-6H2,1-2H3,(H,22,23)/t10-,11+,12+,13-,17+/m0/s1
InChIKeyUVLRPZABEUVMBQ-KOPCRSHDSA-N
MW355.31 g/mol
LogP4.73
Rot. Bonds5

About (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide

(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 2480527) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide
PubChem CID2480527
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](N[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C18H24Cl2N2O/c1-10(17-6-12-3-4-13(17)5-12)21-11(2)18(23)22-16-8-14(19)7-15(20)9-16/h7-13,17,21H,3-6H2,1-2H3,(H,22,23)/t10-,11+,12+,13-,17+/m0/s1
InChIKeyUVLRPZABEUVMBQ-KOPCRSHDSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
CID 3091316
(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
CID 2493884
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpropanamide
CID 43085453
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228
(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 98430928
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
CID 108502946
(2R)-2-(4-acetamidoanilino)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98613619
(2S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 124823605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide (CID 2480527) is (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide is C[C@H](N[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is UVLRPZABEUVMBQ-KOPCRSHDSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-10(17-6-12-3-4-13(17)5-12)21-11(2)18(23)22-16-8-14(19)7-15(20)9-16/h7-13,17,21H,3-6H2,1-2H3,(H,22,23)/t10-,11+,12+,13-,17+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide?
(2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 355.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2480527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).