1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

C19H17ClN2O2 — CID 113211000

IUPAC1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-24-14-5-3-13(4-6-14)22-18(23)19(8-9-19)16-11-21-17-7-2-12(20)10-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)
InChIKeyQRZLZVHTDJNWIN-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.50
Rot. Bonds4

About 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113211000) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID113211000
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-24-14-5-3-13(4-6-14)22-18(23)19(8-9-19)16-11-21-17-7-2-12(20)10-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)
InChIKeyQRZLZVHTDJNWIN-UHFFFAOYSA-N
XLogP4.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
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
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
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
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 113211000) is 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is QRZLZVHTDJNWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-24-14-5-3-13(4-6-14)22-18(23)19(8-9-19)16-11-21-17-7-2-12(20)10-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,22,23).
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).