[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium

C19H22Cl2N3O2+ — CID 9253853

IUPAC[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/p+1/t13-/m0/s1
InChIKeyITWIIZBXPSXFAX-ZDUSSCGKSA-O
MW395.31 g/mol
LogP3.58
Rot. Bonds5

About [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium

[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium (PubChem CID 9253853) has the molecular formula C19H22Cl2N3O2+ and a molecular weight of 395.31 g/mol. Its IUPAC name is [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
PubChem CID9253853
Molecular FormulaC19H22Cl2N3O2+
Molecular Weight395.31 g/mol
Exact Mass394.11
IUPAC Name[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/p+1/t13-/m0/s1
InChIKeyITWIIZBXPSXFAX-ZDUSSCGKSA-O
XLogP3.58
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9254039
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9253725
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9041050
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]azanium
CID 9253655
[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]azanium
CID 9377834
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9307643
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9253909
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 8768923

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium (CID 9253853) is [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium is Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The InChIKey is ITWIIZBXPSXFAX-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium has a molecular weight of 395.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9253853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).