1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide

C23H21ClN2O3 — CID 42666962

IUPAC1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide
SMILESCCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-2-28-22-10-4-9-20-19(22)13-21(23(27)25-14-18-8-5-11-29-18)26(20)15-16-6-3-7-17(24)12-16/h3-13H,2,14-15H2,1H3,(H,25,27)
InChIKeyFSTFTGPTLWYHLO-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.26
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide

1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide (PubChem CID 42666962) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide
PubChem CID42666962
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide
SMILESCCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-2-28-22-10-4-9-20-19(22)13-21(23(27)25-14-18-8-5-11-29-18)26(20)15-16-6-3-7-17(24)12-16/h3-13H,2,14-15H2,1H3,(H,25,27)
InChIKeyFSTFTGPTLWYHLO-UHFFFAOYSA-N
XLogP5.26
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)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

N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
CID 42804635
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
2-(3-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836118
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168884
6-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797139
N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797213
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide (CID 42666962) is 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide is CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide?
The InChIKey is FSTFTGPTLWYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-2-28-22-10-4-9-20-19(22)13-21(23(27)25-14-18-8-5-11-29-18)26(20)15-16-6-3-7-17(24)12-16/h3-13H,2,14-15H2,1H3,(H,25,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide?
1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 42666962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).