2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide

C13H17BrN2O — CID 43398074

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(10-2-4-11(14)5-3-10)15-8-13(17)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyAKXOONHWNCTTSQ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.38
Rot. Bonds5

About 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide

2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide (PubChem CID 43398074) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
PubChem CID43398074
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(10-2-4-11(14)5-3-10)15-8-13(17)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyAKXOONHWNCTTSQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
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-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide (CID 43398074) is 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide is CC(NCC(=O)NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide?
The InChIKey is AKXOONHWNCTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(10-2-4-11(14)5-3-10)15-8-13(17)16-12-6-7-12/h2-5,9,12,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide?
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).