N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

C18H13Cl2FN2O — CID 113210710

IUPACN-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H13Cl2FN2O/c19-10-5-11(20)7-13(6-10)23-17(24)18(3-4-18)15-9-22-16-2-1-12(21)8-14(15)16/h1-2,5-9,22H,3-4H2,(H,23,24)
InChIKeyJJCAMAYTZMZKFH-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.28
Rot. Bonds3

About N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210710) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210710
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC NameN-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H13Cl2FN2O/c19-10-5-11(20)7-13(6-10)23-17(24)18(3-4-18)15-9-22-16-2-1-12(21)8-14(15)16/h1-2,5-9,22H,3-4H2,(H,23,24)
InChIKeyJJCAMAYTZMZKFH-UHFFFAOYSA-N
XLogP5.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210710) is N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JJCAMAYTZMZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c19-10-5-11(20)7-13(6-10)23-17(24)18(3-4-18)15-9-22-16-2-1-12(21)8-14(15)16/h1-2,5-9,22H,3-4H2,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).