1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide

C18H13ClF2N2O — CID 113211034

IUPAC1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H13ClF2N2O/c19-10-4-5-15-11(8-10)12(9-22-15)18(6-7-18)17(24)23-16-13(20)2-1-3-14(16)21/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyUDQRKWCZXMNSGQ-UHFFFAOYSA-N
MW346.76 g/mol
LogP4.77
Rot. Bonds3

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

1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 113211034) has the molecular formula C18H13ClF2N2O and a molecular weight of 346.76 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID113211034
Molecular FormulaC18H13ClF2N2O
Molecular Weight346.76 g/mol
Exact Mass346.07
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H13ClF2N2O/c19-10-4-5-15-11(8-10)12(9-22-15)18(6-7-18)17(24)23-16-13(20)2-1-3-14(16)21/h1-5,8-9,22H,6-7H2,(H,23,24)
InChIKeyUDQRKWCZXMNSGQ-UHFFFAOYSA-N
XLogP4.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
CID 113210973
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide (CID 113211034) is 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1c(F)cccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UDQRKWCZXMNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O/c19-10-4-5-15-11(8-10)12(9-22-15)18(6-7-18)17(24)23-16-13(20)2-1-3-14(16)21/h1-5,8-9,22H,6-7H2,(H,23,24).
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 346.76 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).