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

C18H14ClFN2O — CID 113211145

IUPACN-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H14ClFN2O/c19-14-3-1-2-4-15(14)22-17(23)18(7-8-18)13-10-21-16-9-11(20)5-6-12(13)16/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyCBLZCPUNEBLESJ-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.63
Rot. Bonds3

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

N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113211145) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113211145
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC NameN-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H14ClFN2O/c19-14-3-1-2-4-15(14)22-17(23)18(7-8-18)13-10-21-16-9-11(20)5-6-12(13)16/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyCBLZCPUNEBLESJ-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 113211163
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 110439413

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113211145) is N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1Cl)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is CBLZCPUNEBLESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-14-3-1-2-4-15(14)22-17(23)18(7-8-18)13-10-21-16-9-11(20)5-6-12(13)16/h1-6,9-10,21H,7-8H2,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).