[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium

C18H22BrN2O2+ — CID 9263465

IUPAC[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[C@H]([NH2+]CC(=O)Nc1cccc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-17(13-7-9-14(19)10-8-13)20-12-18(22)21-15-5-4-6-16(11-15)23-2/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/p+1/t17-/m0/s1
InChIKeyQXGABVNABMPUQP-KRWDZBQOSA-O
MW378.29 g/mol
LogP3.11
Rot. Bonds7

About [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium

[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9263465) has the molecular formula C18H22BrN2O2+ and a molecular weight of 378.29 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9263465
Molecular FormulaC18H22BrN2O2+
Molecular Weight378.29 g/mol
Exact Mass377.09
IUPAC Name[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[C@H]([NH2+]CC(=O)Nc1cccc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-17(13-7-9-14(19)10-8-13)20-12-18(22)21-15-5-4-6-16(11-15)23-2/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/p+1/t17-/m0/s1
InChIKeyQXGABVNABMPUQP-KRWDZBQOSA-O
XLogP3.11
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
CID 9263599
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
[(1R)-1-(4-bromophenyl)propyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263710
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9253921
[(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9263642
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[2-(3-methoxyanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9051720
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9263465) is [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is CC[C@H]([NH2+]CC(=O)Nc1cccc(OC)c1)c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is QXGABVNABMPUQP-KRWDZBQOSA-O. The full InChI is InChI=1S/C18H21BrN2O2/c1-3-17(13-7-9-14(19)10-8-13)20-12-18(22)21-15-5-4-6-16(11-15)23-2/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/p+1/t17-/m0/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 378.29 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9263465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).