5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide

C22H26ClN3O2 — CID 154334574

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide
SMILESCCN(CC)CCNC(=O)c1[nH]c(-c2ccc(OC)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C22H26ClN3O2/c1-4-26(5-2)13-12-24-22(27)21-18-11-8-16(23)14-19(18)20(25-21)15-6-9-17(28-3)10-7-15/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,24,27)
InChIKeyTWMFXXNWPBDUNG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.57
Rot. Bonds8

About 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide

5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide (PubChem CID 154334574) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide
PubChem CID154334574
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide
SMILESCCN(CC)CCNC(=O)c1[nH]c(-c2ccc(OC)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C22H26ClN3O2/c1-4-26(5-2)13-12-24-22(27)21-18-11-8-16(23)14-19(18)20(25-21)15-6-9-17(28-3)10-7-15/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,24,27)
InChIKeyTWMFXXNWPBDUNG-UHFFFAOYSA-N
XLogP4.57
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-3-(4-methoxyphenyl)-2H-isoindole-1-carboxylic acid
CID 22764370
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 118222100
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
5-chloro-N-[2-(diethylamino)ethyl]-2-ethyl-3-phenylisoindole-1-carboxamide
CID 54497345
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide (CID 154334574) is 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide is CCN(CC)CCNC(=O)c1[nH]c(-c2ccc(OC)cc2)c2cc(Cl)ccc12.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide?
The InChIKey is TWMFXXNWPBDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-4-26(5-2)13-12-24-22(27)21-18-11-8-16(23)14-19(18)20(25-21)15-6-9-17(28-3)10-7-15/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,24,27).
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide?
5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide is sourced from PubChem (CID 154334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).