1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

C20H19FN2O2 — CID 113211162

IUPAC1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O2/c1-12-3-6-18(25-2)17(9-12)23-19(24)20(7-8-20)15-11-22-16-10-13(21)4-5-14(15)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyJLRSBWQXIAYHTK-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.29
Rot. Bonds4

About 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 113211162) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID113211162
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O2/c1-12-3-6-18(25-2)17(9-12)23-19(24)20(7-8-20)15-11-22-16-10-13(21)4-5-14(15)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyJLRSBWQXIAYHTK-UHFFFAOYSA-N
XLogP4.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 113211163
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 113211110
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (CID 113211162) is 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JLRSBWQXIAYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-12-3-6-18(25-2)17(9-12)23-19(24)20(7-8-20)15-11-22-16-10-13(21)4-5-14(15)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).