N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C20H19FN2O2 — CID 110426208

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc21
InChIInChI=1S/C20H19FN2O2/c1-19(2)14-11-12(7-8-16(14)23-17(19)24)22-18(25)20(9-10-20)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKAMZJNGPNZZRRN-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.73
Rot. Bonds3

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110426208) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110426208
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc21
InChIInChI=1S/C20H19FN2O2/c1-19(2)14-11-12(7-8-16(14)23-17(19)24)22-18(25)20(9-10-20)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKAMZJNGPNZZRRN-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 110426208) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KAMZJNGPNZZRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-19(2)14-11-12(7-8-16(14)23-17(19)24)22-18(25)20(9-10-20)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110426208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).