5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide

C16H25ClN4O2 — CID 119505718

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyLSOORNPVDBCBHR-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.60
Rot. Bonds6

About 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide

5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119505718) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119505718
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyLSOORNPVDBCBHR-UHFFFAOYSA-N
XLogP2.60
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide (CID 119505718) is 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is LSOORNPVDBCBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 340.86 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119505718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).