1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide

C18H16Cl2N2O2 — CID 145438430

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
SMILESCNC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12
InChIInChI=1S/C18H16Cl2N2O2/c1-21-18(23)14-10-22(9-11-3-5-15(19)16(20)7-11)17-6-4-12(24-2)8-13(14)17/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyNYPFEBLIFOUIAD-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.36
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide (PubChem CID 145438430) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
PubChem CID145438430
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
SMILESCNC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12
InChIInChI=1S/C18H16Cl2N2O2/c1-21-18(23)14-10-22(9-11-3-5-15(19)16(20)7-11)17-6-4-12(24-2)8-13(14)17/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyNYPFEBLIFOUIAD-UHFFFAOYSA-N
XLogP4.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-5-hydroxy-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide
CID 22660391
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145201618
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395139
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 5104656
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[[1-[(3,4-dichlorophenyl)methyl]-6-methoxyindole-3-carbonyl]amino]oxan-2-yl]methyl acetate
CID 145201605
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
CID 67244328

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide (CID 145438430) is 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide is CNC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide?
The InChIKey is NYPFEBLIFOUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-21-18(23)14-10-22(9-11-3-5-15(19)16(20)7-11)17-6-4-12(24-2)8-13(14)17/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide is sourced from PubChem (CID 145438430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).