[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium

C18H19Cl2N4O3+ — CID 8551653

IUPAC[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H18Cl2N4O3/c1-24(10-15(25)22-12-7-8-13(19)14(20)9-12)16(17(26)23-18(21)27)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,22,25)(H3,21,23,26,27)/p+1/t16-/m0/s1
InChIKeyYDBJKTGSXGDNFS-INIZCTEOSA-O
MW410.28 g/mol
LogP1.38
Rot. Bonds6

About [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 8551653) has the molecular formula C18H19Cl2N4O3+ and a molecular weight of 410.28 g/mol. Its IUPAC name is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
PubChem CID8551653
Molecular FormulaC18H19Cl2N4O3+
Molecular Weight410.28 g/mol
Exact Mass409.08
IUPAC Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H18Cl2N4O3/c1-24(10-15(25)22-12-7-8-13(19)14(20)9-12)16(17(26)23-18(21)27)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,22,25)(H3,21,23,26,27)/p+1/t16-/m0/s1
InChIKeyYDBJKTGSXGDNFS-INIZCTEOSA-O
XLogP1.38
TPSA105.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 2515495
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846329
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303058
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
[2-(3,4-dichloroanilino)-2-oxoethyl]-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9198071
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 2658151
[2-(2-chloroanilino)-2-oxoethyl]-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 9041416

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium (CID 8551653) is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is YDBJKTGSXGDNFS-INIZCTEOSA-O. The full InChI is InChI=1S/C18H18Cl2N4O3/c1-24(10-15(25)22-12-7-8-13(19)14(20)9-12)16(17(26)23-18(21)27)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,22,25)(H3,21,23,26,27)/p+1/t16-/m0/s1.
What are the key properties of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium?
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 410.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8551653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).