N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C15H19BrN2O — CID 81359990

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](NC(=O)C1CC2CCC1N2)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-9(10-2-4-11(16)5-3-10)17-15(19)13-8-12-6-7-14(13)18-12/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12?,13?,14?/m0/s1
InChIKeyZZXQCGLNZHIAGD-QENDRQMCSA-N
MW323.23 g/mol
LogP2.77
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 81359990) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID81359990
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](NC(=O)C1CC2CCC1N2)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-9(10-2-4-11(16)5-3-10)17-15(19)13-8-12-6-7-14(13)18-12/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12?,13?,14?/m0/s1
InChIKeyZZXQCGLNZHIAGD-QENDRQMCSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81360058
N-[(1R)-1-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81373141
N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81388024
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
(1S,6S)-6-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93035492
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
N-(4-ethylsulfanylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266965

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 81359990) is N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is C[C@H](NC(=O)C1CC2CCC1N2)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZZXQCGLNZHIAGD-QENDRQMCSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9(10-2-4-11(16)5-3-10)17-15(19)13-8-12-6-7-14(13)18-12/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12?,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 81359990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).