N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

C18H13Cl2FN2O — CID 113210711

IUPACN-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H13Cl2FN2O/c19-13-2-1-3-14(20)16(13)23-17(24)18(6-7-18)12-9-22-15-5-4-10(21)8-11(12)15/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyIRKQGFVWZCDABN-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.28
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210711) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210711
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC NameN-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H13Cl2FN2O/c19-13-2-1-3-14(20)16(13)23-17(24)18(6-7-18)12-9-22-15-5-4-10(21)8-11(12)15/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyIRKQGFVWZCDABN-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-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 110439413

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210711) is N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1c(Cl)cccc1Cl)C1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is IRKQGFVWZCDABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c19-13-2-1-3-14(20)16(13)23-17(24)18(6-7-18)12-9-22-15-5-4-10(21)8-11(12)15/h1-5,8-9,22H,6-7H2,(H,23,24).
What are the key properties of N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2,6-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-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).