N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide

C20H17ClN2O2 — CID 113211009

IUPACN-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C20H17ClN2O2/c1-12(24)13-3-2-4-15(9-13)23-19(25)20(7-8-20)17-11-22-18-6-5-14(21)10-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25)
InChIKeyIAIWIZHHZGPHEM-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.69
Rot. Bonds4

About N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113211009) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113211009
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C20H17ClN2O2/c1-12(24)13-3-2-4-15(9-13)23-19(25)20(7-8-20)17-11-22-18-6-5-14(21)10-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25)
InChIKeyIAIWIZHHZGPHEM-UHFFFAOYSA-N
XLogP4.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113211009) is N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is IAIWIZHHZGPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12(24)13-3-2-4-15(9-13)23-19(25)20(7-8-20)17-11-22-18-6-5-14(21)10-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25).
What are the key properties of N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).