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

C12H17BrN2O — CID 43400964

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-4-6-11(13)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyULZNZFINQYEWKB-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.24
Rot. Bonds5

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

2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide (PubChem CID 43400964) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
PubChem CID43400964
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-4-6-11(13)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyULZNZFINQYEWKB-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641631
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide (CID 43400964) is 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide is CCNC(=O)CNC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide?
The InChIKey is ULZNZFINQYEWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-4-6-11(13)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide?
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide has a molecular weight of 285.19 g/mol, XLogP of 2.24, 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-ethylacetamide is sourced from PubChem (CID 43400964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).