5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

C29H28ClFN4O3 — CID 83289823

IUPAC5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2Cc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C29H28ClFN4O3/c30-25-7-2-1-6-24(25)28(36)33-23-8-9-26-21(17-23)18-27(35(26)19-20-4-3-5-22(31)16-20)29(37)32-10-11-34-12-14-38-15-13-34/h1-9,16-18H,10-15,19H2,(H,32,37)(H,33,36)
InChIKeySTYONLXMQQYBJB-UHFFFAOYSA-N
MW535.02 g/mol
LogP4.80
Rot. Bonds8

About 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (PubChem CID 83289823) has the molecular formula C29H28ClFN4O3 and a molecular weight of 535.02 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
PubChem CID83289823
Molecular FormulaC29H28ClFN4O3
Molecular Weight535.02 g/mol
Exact Mass534.18
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2Cc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C29H28ClFN4O3/c30-25-7-2-1-6-24(25)28(36)33-23-8-9-26-21(17-23)18-27(35(26)19-20-4-3-5-22(31)16-20)29(37)32-10-11-34-12-14-38-15-13-34/h1-9,16-18H,10-15,19H2,(H,32,37)(H,33,36)
InChIKeySTYONLXMQQYBJB-UHFFFAOYSA-N
XLogP4.80
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-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

R-VK4-40
CID 130431314
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
ECE Inhibitor, 6
CID 10226317
ECE Inhibitor, 9
CID 15983962
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
N-[(3S)-4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431288
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431289
N-[(3R)-4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431315
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
CID 130431316

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (CID 83289823) is 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is O=C(Nc1ccc2c(c1)cc(C(=O)NCCN1CCOCC1)n2Cc1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The InChIKey is STYONLXMQQYBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN4O3/c30-25-7-2-1-6-24(25)28(36)33-23-8-9-26-21(17-23)18-27(35(26)19-20-4-3-5-22(31)16-20)29(37)32-10-11-34-12-14-38-15-13-34/h1-9,16-18H,10-15,19H2,(H,32,37)(H,33,36).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide has a molecular weight of 535.02 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83289823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).