1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone

C12H15BrClNO — CID 71319680

IUPAC1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1c(Cl)cc(C(C)=O)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-4-15(5-2)12-10(13)6-9(8(3)16)7-11(12)14/h6-7H,4-5H2,1-3H3
InChIKeyXANZTUBYQSDKOG-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.15
Rot. Bonds4

About 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone

1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone (PubChem CID 71319680) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone
PubChem CID71319680
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1c(Cl)cc(C(C)=O)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-4-15(5-2)12-10(13)6-9(8(3)16)7-11(12)14/h6-7H,4-5H2,1-3H3
InChIKeyXANZTUBYQSDKOG-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 71319678
1-[3-chloro-4-(diethylamino)-5-nitrophenyl]ethanone
CID 71319679
1-[3-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227618
1-[3-bromo-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 62908808
1-[3-bromo-4-[ethyl(2-methylpropyl)amino]phenyl]ethanone
CID 55132067
1-(4-bromo-3-chloro-5-iodophenyl)ethanone
CID 171001104
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-[3-chloro-4-[ethyl(2-methylbutyl)amino]phenyl]ethanone
CID 79477850
1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 62908123
1-[3-bromo-4-chloro-5-(difluoromethyl)phenyl]ethanone
CID 171001234
1-[3-bromo-4-[butan-2-yl(ethyl)amino]phenyl]ethanone
CID 62907787

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone (CID 71319680) is 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone is CCN(CC)c1c(Cl)cc(C(C)=O)cc1Br.
What is the InChIKey of 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone?
The InChIKey is XANZTUBYQSDKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-4-15(5-2)12-10(13)6-9(8(3)16)7-11(12)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone?
1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone has a molecular weight of 304.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone is sourced from PubChem (CID 71319680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).