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

C23H19Cl2N3O3 — CID 89041845

IUPACN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)c[nH]c2c1
InChIInChI=1S/C23H19Cl2N3O3/c1-30-16-3-4-18-19(12-27-21(18)10-16)23(29)28-11-13-2-5-20(25)22(6-13)31-17-8-14(24)7-15(26)9-17/h2-10,12,27H,11,26H2,1H3,(H,28,29)
InChIKeyDBCMOXXBZBEHKN-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.79
Rot. Bonds6

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

N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide (PubChem CID 89041845) 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-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
PubChem CID89041845
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC NameN-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)c[nH]c2c1
InChIInChI=1S/C23H19Cl2N3O3/c1-30-16-3-4-18-19(12-27-21(18)10-16)23(29)28-11-13-2-5-20(25)22(6-13)31-17-8-14(24)7-15(26)9-17/h2-10,12,27H,11,26H2,1H3,(H,28,29)
InChIKeyDBCMOXXBZBEHKN-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'}

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Related Compounds

N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 89218665
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide
CID 59451502
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide (CID 89041845) is N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3)c[nH]c2c1.
What is the InChIKey of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is DBCMOXXBZBEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-30-16-3-4-18-19(12-27-21(18)10-16)23(29)28-11-13-2-5-20(25)22(6-13)31-17-8-14(24)7-15(26)9-17/h2-10,12,27H,11,26H2,1H3,(H,28,29).
What are the key properties of N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide?
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-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-3-carboxamide is sourced from PubChem (CID 89041845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).