(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

C15H22Cl2N3O2+ — CID 9251473

IUPAC(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N3O2/c1-10(2)7-18-15(22)19-14(21)9-20(3)8-11-4-5-12(16)13(17)6-11/h4-6,10H,7-9H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyXSTHWLDTPAAUJO-UHFFFAOYSA-O
MW347.27 g/mol
LogP1.49
Rot. Bonds6

About (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9251473) has the molecular formula C15H22Cl2N3O2+ and a molecular weight of 347.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9251473
Molecular FormulaC15H22Cl2N3O2+
Molecular Weight347.27 g/mol
Exact Mass346.11
IUPAC Name(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N3O2/c1-10(2)7-18-15(22)19-14(21)9-20(3)8-11-4-5-12(16)13(17)6-11/h4-6,10H,7-9H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyXSTHWLDTPAAUJO-UHFFFAOYSA-O
XLogP1.49
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
2-[(S)-(3,4-dichlorophenyl)methylsulfinyl]-N-(2-methylpropyl)acetamide
CID 95303463
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-(2-methylpropylamino)-2-oxoethyl]azanium
CID 9123060
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 2658737
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9041896
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9287497
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
CID 2699320
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8925396
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (CID 9251473) is (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is CC(C)CNC(=O)NC(=O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is XSTHWLDTPAAUJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-10(2)7-18-15(22)19-14(21)9-20(3)8-11-4-5-12(16)13(17)6-11/h4-6,10H,7-9H2,1-3H3,(H2,18,19,21,22)/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 347.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9251473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).