3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

C20H20Cl2N2O3 — CID 60544817

IUPAC3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OC
InChIInChI=1S/C20H20Cl2N2O3/c1-3-8-27-16-7-4-12(9-17(16)26-2)11-23-20(25)19-18(22)14-10-13(21)5-6-15(14)24-19/h4-7,9-10,24H,3,8,11H2,1-2H3,(H,23,25)
InChIKeyMCUFYFNDKQKEBH-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.20
Rot. Bonds7

About 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 60544817) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID60544817
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OC
InChIInChI=1S/C20H20Cl2N2O3/c1-3-8-27-16-7-4-12(9-17(16)26-2)11-23-20(25)19-18(22)14-10-13(21)5-6-15(14)24-19/h4-7,9-10,24H,3,8,11H2,1-2H3,(H,23,25)
InChIKeyMCUFYFNDKQKEBH-UHFFFAOYSA-N
XLogP5.20
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 46409598
3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 143074953
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]butanamide
CID 54777247
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 60544817) is 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide is CCCOc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MCUFYFNDKQKEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-3-8-27-16-7-4-12(9-17(16)26-2)11-23-20(25)19-18(22)14-10-13(21)5-6-15(14)24-19/h4-7,9-10,24H,3,8,11H2,1-2H3,(H,23,25).
What are the key properties of 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 60544817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).