N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide

C19H19FN2O2 — CID 24804939

IUPACN-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCc1cccc(F)c1)c(C)n2C
InChIInChI=1S/C19H19FN2O2/c1-12-18(16-10-15(24-3)7-8-17(16)22(12)2)19(23)21-11-13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyUTJDNIBBOHDYHT-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide

N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide (PubChem CID 24804939) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
PubChem CID24804939
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCc1cccc(F)c1)c(C)n2C
InChIInChI=1S/C19H19FN2O2/c1-12-18(16-10-15(24-3)7-8-17(16)22(12)2)19(23)21-11-13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyUTJDNIBBOHDYHT-UHFFFAOYSA-N
XLogP3.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
CID 175187274
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
6-methoxy-1,2-dimethyl-N-(2-methylpropyl)indole-3-carboxamide
CID 20767927
5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide
CID 46952031
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide (CID 24804939) is N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCc1cccc(F)c1)c(C)n2C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The InChIKey is UTJDNIBBOHDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-18(16-10-15(24-3)7-8-17(16)22(12)2)19(23)21-11-13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 24804939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).