(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

C19H24ClN2O+ — CID 9251263

IUPAC(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccccc1NC(=O)C[NH+](C)Cc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14(2)17-9-4-5-10-18(17)21-19(23)13-22(3)12-15-7-6-8-16(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyZKUQQDCTTUFBKE-UHFFFAOYSA-O
MW331.87 g/mol
LogP3.12
Rot. Bonds6

About (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (PubChem CID 9251263) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
PubChem CID9251263
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccccc1NC(=O)C[NH+](C)Cc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14(2)17-9-4-5-10-18(17)21-19(23)13-22(3)12-15-7-6-8-16(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)/p+1
InChIKeyZKUQQDCTTUFBKE-UHFFFAOYSA-O
XLogP3.12
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9287248
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8550577
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium
CID 9040266
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8801735
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (CID 9251263) is (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is CC(C)c1ccccc1NC(=O)C[NH+](C)Cc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The InChIKey is ZKUQQDCTTUFBKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-14(2)17-9-4-5-10-18(17)21-19(23)13-22(3)12-15-7-6-8-16(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium has a molecular weight of 331.87 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 9251263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).