2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide

C12H17BrN2O — CID 43566934

IUPAC2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyFAZFHZOCAANTOG-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.24
Rot. Bonds5

About 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide

2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide (PubChem CID 43566934) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
PubChem CID43566934
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyFAZFHZOCAANTOG-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-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
ethyl 2-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]prop-2-enoate
CID 103257333
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide (CID 43566934) is 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide is CCNC(=O)CNC(C)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide?
The InChIKey is FAZFHZOCAANTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-14-12(16)8-15-9(2)10-5-4-6-11(13)7-10/h4-7,9,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide?
2-[1-(3-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-(3-bromophenyl)ethylamino]-N-ethylacetamide is sourced from PubChem (CID 43566934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).