N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide

C24H20Cl2N2O3 — CID 997399

IUPACN-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Cl
InChIInChI=1S/C24H20Cl2N2O3/c1-30-22-9-6-15(10-17(22)14-31-23-5-3-2-4-20(23)26)24(29)27-13-19-12-16-11-18(25)7-8-21(16)28-19/h2-12,28H,13-14H2,1H3,(H,27,29)
InChIKeyJXLKQOBLLGMEGM-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.99
Rot. Bonds7

About N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide

N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide (PubChem CID 997399) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
PubChem CID997399
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC NameN-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Cl
InChIInChI=1S/C24H20Cl2N2O3/c1-30-22-9-6-15(10-17(22)14-31-23-5-3-2-4-20(23)26)24(29)27-13-19-12-16-11-18(25)7-8-21(16)28-19/h2-12,28H,13-14H2,1H3,(H,27,29)
InChIKeyJXLKQOBLLGMEGM-UHFFFAOYSA-N
XLogP5.99
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide 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

3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide
CID 4773490
4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
CID 997018
ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
CID 112833767
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-dimethoxybenzamide
CID 90574822
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
CID 59874743
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
3-[(2-chlorophenoxy)methyl]-N-[(2S)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]-4-methoxybenzamide
CID 51851465
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
(E)-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561136

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide (CID 997399) is N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Cl.
What is the InChIKey of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide?
The InChIKey is JXLKQOBLLGMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-30-22-9-6-15(10-17(22)14-31-23-5-3-2-4-20(23)26)24(29)27-13-19-12-16-11-18(25)7-8-21(16)28-19/h2-12,28H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide?
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide has a molecular weight of 455.34 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide is sourced from PubChem (CID 997399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).