N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

C20H19FN2O — CID 113210646

IUPACN-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C20H19FN2O/c1-2-13-5-3-4-6-17(13)23-19(24)20(9-10-20)16-12-22-18-8-7-14(21)11-15(16)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)
InChIKeyLQJCWHAZXCIPNV-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.54
Rot. Bonds4

About N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210646) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210646
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C20H19FN2O/c1-2-13-5-3-4-6-17(13)23-19(24)20(9-10-20)16-12-22-18-8-7-14(21)11-15(16)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)
InChIKeyLQJCWHAZXCIPNV-UHFFFAOYSA-N
XLogP4.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 113211163
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210646) is N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is CCc1ccccc1NC(=O)C1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is LQJCWHAZXCIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-2-13-5-3-4-6-17(13)23-19(24)20(9-10-20)16-12-22-18-8-7-14(21)11-15(16)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24).
What are the key properties of N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).