2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide

C16H23ClN4O5 — CID 55917738

IUPAC2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(C(=O)NCCOC)c(Cl)c1
InChIInChI=1S/C16H23ClN4O5/c1-25-7-5-18-15(23)12-4-3-11(9-13(12)17)20-10-14(22)21-16(24)19-6-8-26-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,18,23)(H2,19,21,22,24)
InChIKeyYAJMKRMFRLWIRC-UHFFFAOYSA-N
MW386.84 g/mol
LogP0.60
Rot. Bonds10

About 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide

2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide (PubChem CID 55917738) has the molecular formula C16H23ClN4O5 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
PubChem CID55917738
Molecular FormulaC16H23ClN4O5
Molecular Weight386.84 g/mol
Exact Mass386.14
IUPAC Name2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(C(=O)NCCOC)c(Cl)c1
InChIInChI=1S/C16H23ClN4O5/c1-25-7-5-18-15(23)12-4-3-11(9-13(12)17)20-10-14(22)21-16(24)19-6-8-26-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,18,23)(H2,19,21,22,24)
InChIKeyYAJMKRMFRLWIRC-UHFFFAOYSA-N
XLogP0.60
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
CID 55919274
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-(3-ethynylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 31418252
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide (CID 55917738) is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide is COCCNC(=O)NC(=O)CNc1ccc(C(=O)NCCOC)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is YAJMKRMFRLWIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O5/c1-25-7-5-18-15(23)12-4-3-11(9-13(12)17)20-10-14(22)21-16(24)19-6-8-26-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,18,23)(H2,19,21,22,24).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide?
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 386.84 g/mol, XLogP of 0.60, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).