[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

C15H22Cl2N3O2+ — CID 9253725

IUPAC[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/p+1/t10-/m1/s1
InChIKeyRPMYAGIQLPWCPR-SNVBAGLBSA-O
MW347.27 g/mol
LogP2.10
Rot. Bonds6

About [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9253725) has the molecular formula C15H22Cl2N3O2+ and a molecular weight of 347.27 g/mol. Its IUPAC name is [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9253725
Molecular FormulaC15H22Cl2N3O2+
Molecular Weight347.27 g/mol
Exact Mass346.11
IUPAC Name[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/p+1/t10-/m1/s1
InChIKeyRPMYAGIQLPWCPR-SNVBAGLBSA-O
XLogP2.10
TPSA74.81 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 ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9253909
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9253853
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9377247
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9254039
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8594454
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9253921
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9041069

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (CID 9253725) is [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is RPMYAGIQLPWCPR-SNVBAGLBSA-O. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/p+1/t10-/m1/s1.
What are the key properties of [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 347.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9253725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).