2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide

C17H23BrN2O — CID 43082122

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
SMILESCC(NCC(=O)Nc1cccc(Br)c1)C1CC2CCC1C2
InChIInChI=1S/C17H23BrN2O/c1-11(16-8-12-5-6-13(16)7-12)19-10-17(21)20-15-4-2-3-14(18)9-15/h2-4,9,11-13,16,19H,5-8,10H2,1H3,(H,20,21)
InChIKeyIFIGJXJUTKSAFB-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.80
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide (PubChem CID 43082122) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
PubChem CID43082122
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
SMILESCC(NCC(=O)Nc1cccc(Br)c1)C1CC2CCC1C2
InChIInChI=1S/C17H23BrN2O/c1-11(16-8-12-5-6-13(16)7-12)19-10-17(21)20-15-4-2-3-14(18)9-15/h2-4,9,11-13,16,19H,5-8,10H2,1H3,(H,20,21)
InChIKeyIFIGJXJUTKSAFB-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-[4-(diethylamino)phenyl]acetamide
CID 4839986
2-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46561010
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
CID 43179815
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(3-bromophenyl)methylsulfanyl]acetamide
CID 98705752
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide
CID 2355286
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
CID 3091316
[2-(3-bromoanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932916
2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 98606003
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-bromophenyl)-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64742087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide (CID 43082122) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide is CC(NCC(=O)Nc1cccc(Br)c1)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide?
The InChIKey is IFIGJXJUTKSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-11(16-8-12-5-6-13(16)7-12)19-10-17(21)20-15-4-2-3-14(18)9-15/h2-4,9,11-13,16,19H,5-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide has a molecular weight of 351.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 43082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).