N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

C23H19Cl2N3O3 — CID 89218665

IUPACN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)[nH]c2c1
InChIInChI=1S/C23H19Cl2N3O3/c1-30-17-4-3-14-7-21(28-20(14)11-17)23(29)27-12-13-2-5-19(25)22(6-13)31-18-9-15(24)8-16(26)10-18/h2-11,28H,12,26H2,1H3,(H,27,29)
InChIKeyQXNLWFWOHWDKKR-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.79
Rot. Bonds6

About N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 89218665) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID89218665
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC NameN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)[nH]c2c1
InChIInChI=1S/C23H19Cl2N3O3/c1-30-17-4-3-14-7-21(28-20(14)11-17)23(29)27-12-13-2-5-19(25)22(6-13)31-18-9-15(24)8-16(26)10-18/h2-11,28H,12,26H2,1H3,(H,27,29)
InChIKeyQXNLWFWOHWDKKR-UHFFFAOYSA-N
XLogP5.79
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-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-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
CID 89041845
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 39983983
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide
CID 59451502
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89218720
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (CID 89218665) is N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)[nH]c2c1.
What is the InChIKey of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is QXNLWFWOHWDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-30-17-4-3-14-7-21(28-20(14)11-17)23(29)27-12-13-2-5-19(25)22(6-13)31-18-9-15(24)8-16(26)10-18/h2-11,28H,12,26H2,1H3,(H,27,29).
What are the key properties of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 89218665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).