[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

C19H22ClN4O3+ — CID 8843970

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)/p+1
InChIKeyKFHRTSYSLMVHJF-UHFFFAOYSA-O
MW389.86 g/mol
LogP0.79
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 8843970) has the molecular formula C19H22ClN4O3+ and a molecular weight of 389.86 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
PubChem CID8843970
Molecular FormulaC19H22ClN4O3+
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)/p+1
InChIKeyKFHRTSYSLMVHJF-UHFFFAOYSA-O
XLogP0.79
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595235
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
CID 9252675
(5-bromothiophen-2-yl)methyl-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8971807
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250766
2-(3-bromophenoxy)ethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036257

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (CID 8843970) is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is CNC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is KFHRTSYSLMVHJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 389.86 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8843970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).