N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide

C18H16F2N2O3 — CID 46530558

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O3/c1-22-10-13(12-5-3-4-6-14(12)22)17(23)21-11-7-8-15(24-2)16(9-11)25-18(19)20/h3-10,18H,1-2H3,(H,21,23)
InChIKeyYVNYDHUMYQLAHI-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide (PubChem CID 46530558) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide
PubChem CID46530558
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O3/c1-22-10-13(12-5-3-4-6-14(12)22)17(23)21-11-7-8-15(24-2)16(9-11)25-18(19)20/h3-10,18H,1-2H3,(H,21,23)
InChIKeyYVNYDHUMYQLAHI-UHFFFAOYSA-N
XLogP4.04
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55758693
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide (CID 46530558) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide is COc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide?
The InChIKey is YVNYDHUMYQLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-22-10-13(12-5-3-4-6-14(12)22)17(23)21-11-7-8-15(24-2)16(9-11)25-18(19)20/h3-10,18H,1-2H3,(H,21,23).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 46530558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).