1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one

C16H23BrClNO2 — CID 82778702

IUPAC1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
SMILESCCC(C)N(CCOC)CCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H23BrClNO2/c1-4-12(2)19(9-10-21-3)8-7-16(20)14-6-5-13(17)11-15(14)18/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMIDJNGGNYBNRKT-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.42
Rot. Bonds9

About 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one

1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one (PubChem CID 82778702) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
PubChem CID82778702
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
SMILESCCC(C)N(CCOC)CCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H23BrClNO2/c1-4-12(2)19(9-10-21-3)8-7-16(20)14-6-5-13(17)11-15(14)18/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMIDJNGGNYBNRKT-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
CID 82779483
1-(4-bromo-2-chlorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-one
CID 82780037
1-(4-bromo-2-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propan-1-one
CID 82779868
2-[1-(4-bromo-2-chlorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 82781404
methyl 6-(4-bromo-2-chlorophenyl)-6-oxohexanoate
CID 146010872
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
(2S)-2-[(4-bromo-2-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61172061
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one (CID 82778702) is 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one is CCC(C)N(CCOC)CCC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one?
The InChIKey is MIDJNGGNYBNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-4-12(2)19(9-10-21-3)8-7-16(20)14-6-5-13(17)11-15(14)18/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one?
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one has a molecular weight of 376.72 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one is sourced from PubChem (CID 82778702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).