2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide

C15H21BrN2O — CID 81359637

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
SMILESC[C@@H](NCC(=O)NC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11(12-6-8-13(16)9-7-12)17-10-15(19)18-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyIHKBDVDGIMEEAC-LLVKDONJSA-N
MW325.25 g/mol
LogP3.16
Rot. Bonds5

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide (PubChem CID 81359637) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
PubChem CID81359637
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
SMILESC[C@@H](NCC(=O)NC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11(12-6-8-13(16)9-7-12)17-10-15(19)18-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyIHKBDVDGIMEEAC-LLVKDONJSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide (CID 81359637) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide is C[C@@H](NCC(=O)NC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide?
The InChIKey is IHKBDVDGIMEEAC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(12-6-8-13(16)9-7-12)17-10-15(19)18-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide has a molecular weight of 325.25 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide is sourced from PubChem (CID 81359637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).