N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide

C25H22Cl2FN5O3 — CID 89218490

IUPACN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
SMILESNCCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3F)cc2c1
InChIInChI=1S/C25H22Cl2FN5O3/c26-15-9-16(30)11-18(10-15)36-24-19(27)3-1-13(23(24)28)12-31-25(35)21-8-14-7-17(2-4-20(14)33-21)32-22(34)5-6-29/h1-4,7-11,33H,5-6,12,29-30H2,(H,31,35)(H,32,34)
InChIKeyNNSZFMCEOQYSJW-UHFFFAOYSA-N
MW530.39 g/mol
LogP5.21
Rot. Bonds8

About N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide

N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide (PubChem CID 89218490) has the molecular formula C25H22Cl2FN5O3 and a molecular weight of 530.39 g/mol. Its IUPAC name is N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
PubChem CID89218490
Molecular FormulaC25H22Cl2FN5O3
Molecular Weight530.39 g/mol
Exact Mass529.11
IUPAC NameN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
SMILESNCCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3F)cc2c1
InChIInChI=1S/C25H22Cl2FN5O3/c26-15-9-16(30)11-18(10-15)36-24-19(27)3-1-13(23(24)28)12-31-25(35)21-8-14-7-17(2-4-20(14)33-21)32-22(34)5-6-29/h1-4,7-11,33H,5-6,12,29-30H2,(H,31,35)(H,32,34)
InChIKeyNNSZFMCEOQYSJW-UHFFFAOYSA-N
XLogP5.21
TPSA135.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.39
LogP ≤ 55.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-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

tert-butyl N-[2-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methylcarbamoyl]-1H-indol-5-yl]carbamate
CID 89041819
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89218720
5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 59451512
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 89041799
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-[3-[(2-methylpropan-2-yl)oxy]propanoylamino]-1H-indole-2-carboxamide
CID 59451573
5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 59451507
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]pyridine-2-carboxamide
CID 89218603
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 89218724
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-bromo-2-(methoxymethyl)-1H-imidazole-4-carboxamide
CID 89218682
2-N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-N,5-N,3-trimethyl-1H-pyrrole-2,5-dicarboxamide
CID 89218563
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-methylthiadiazole-5-carboxamide
CID 89218499
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-nitro-1H-indole-2-carboxamide
CID 59451617

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide (CID 89218490) is N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide is NCCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(N)cc(Cl)c4)c3F)cc2c1.
What is the InChIKey of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide?
The InChIKey is NNSZFMCEOQYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN5O3/c26-15-9-16(30)11-18(10-15)36-24-19(27)3-1-13(23(24)28)12-31-25(35)21-8-14-7-17(2-4-20(14)33-21)32-22(34)5-6-29/h1-4,7-11,33H,5-6,12,29-30H2,(H,31,35)(H,32,34).
What are the key properties of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide?
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide has a molecular weight of 530.39 g/mol, XLogP of 5.21, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 89218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).