N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide

C24H21ClN4O5 — CID 23514103

IUPACN-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide
SMILESNCCNC(=O)c1cccc2c1c(C(=O)C(=O)NC1=CC(=O)OC1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O5/c25-15-6-4-14(5-7-15)11-29-12-18(22(31)24(33)28-16-10-20(30)34-13-16)21-17(2-1-3-19(21)29)23(32)27-9-8-26/h1-7,10,12H,8-9,11,13,26H2,(H,27,32)(H,28,33)
InChIKeyINIAPRCJSQNBAO-UHFFFAOYSA-N
MW480.91 g/mol
LogP1.77
Rot. Bonds8

About N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide

N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide (PubChem CID 23514103) has the molecular formula C24H21ClN4O5 and a molecular weight of 480.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide
PubChem CID23514103
Molecular FormulaC24H21ClN4O5
Molecular Weight480.91 g/mol
Exact Mass480.12
IUPAC NameN-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide
SMILESNCCNC(=O)c1cccc2c1c(C(=O)C(=O)NC1=CC(=O)OC1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O5/c25-15-6-4-14(5-7-15)11-29-12-18(22(31)24(33)28-16-10-20(30)34-13-16)21-17(2-1-3-19(21)29)23(32)27-9-8-26/h1-7,10,12H,8-9,11,13,26H2,(H,27,32)(H,28,33)
InChIKeyINIAPRCJSQNBAO-UHFFFAOYSA-N
XLogP1.77
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-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

[1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indol-4-yl] acetate
CID 23514019
2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514120
2-[1-[(3,5-difluorophenyl)methyl]indol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514002
2-[1-[(3,5-dibromophenyl)methyl]indol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514033
ethyl 4-[[4-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indol-1-yl]methyl]benzoate
CID 91036139
2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514049
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514108
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 23397151
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
CID 10620409
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide (CID 23514103) is N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide is NCCNC(=O)c1cccc2c1c(C(=O)C(=O)NC1=CC(=O)OC1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide?
The InChIKey is INIAPRCJSQNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O5/c25-15-6-4-14(5-7-15)11-29-12-18(22(31)24(33)28-16-10-20(30)34-13-16)21-17(2-1-3-19(21)29)23(32)27-9-8-26/h1-7,10,12H,8-9,11,13,26H2,(H,27,32)(H,28,33).
What are the key properties of N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide?
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide has a molecular weight of 480.91 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indole-4-carboxamide is sourced from PubChem (CID 23514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).