1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

C21H21FN2O2 — CID 113211163

IUPAC1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O2/c1-13(2)26-19-6-4-3-5-17(19)24-20(25)21(9-10-21)16-12-23-18-11-14(22)7-8-15(16)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,24,25)
InChIKeyXSQCPFUGHNUCCW-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.76
Rot. Bonds5

About 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113211163) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID113211163
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O2/c1-13(2)26-19-6-4-3-5-17(19)24-20(25)21(9-10-21)16-12-23-18-11-14(22)7-8-15(16)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,24,25)
InChIKeyXSQCPFUGHNUCCW-UHFFFAOYSA-N
XLogP4.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.76
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
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 113211115
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 113211163) is 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is CC(C)Oc1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XSQCPFUGHNUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13(2)26-19-6-4-3-5-17(19)24-20(25)21(9-10-21)16-12-23-18-11-14(22)7-8-15(16)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.76, 5 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-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).