[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

C18H21Cl2N2O+ — CID 9131604

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(2)18(13-6-4-3-5-7-13)21-11-17(23)22-16-10-14(19)8-9-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/p+1/t18-/m0/s1
InChIKeyWWMPQBZCJTYGMY-SFHVURJKSA-O
MW352.29 g/mol
LogP3.89
Rot. Bonds6

About [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9131604) has the molecular formula C18H21Cl2N2O+ and a molecular weight of 352.29 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
PubChem CID9131604
Molecular FormulaC18H21Cl2N2O+
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(2)18(13-6-4-3-5-7-13)21-11-17(23)22-16-10-14(19)8-9-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/p+1/t18-/m0/s1
InChIKeyWWMPQBZCJTYGMY-SFHVURJKSA-O
XLogP3.89
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
CID 9335625
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131700
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (CID 9131604) is [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is WWMPQBZCJTYGMY-SFHVURJKSA-O. The full InChI is InChI=1S/C18H20Cl2N2O/c1-12(2)18(13-6-4-3-5-7-13)21-11-17(23)22-16-10-14(19)8-9-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/p+1/t18-/m0/s1.
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 352.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9131604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).