N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

C20H19BrN2O2 — CID 113210875

IUPACN-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Br)cc4C)CC3)c2c1
InChIInChI=1S/C20H19BrN2O2/c1-12-9-13(21)3-5-17(12)23-19(24)20(7-8-20)16-11-22-18-6-4-14(25-2)10-15(16)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyTVQSRYTXRQCTJC-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.92
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210875) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210875
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Br)cc4C)CC3)c2c1
InChIInChI=1S/C20H19BrN2O2/c1-12-9-13(21)3-5-17(12)23-19(24)20(7-8-20)16-11-22-18-6-4-14(25-2)10-15(16)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyTVQSRYTXRQCTJC-UHFFFAOYSA-N
XLogP4.92
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892
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
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210875) is N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is COc1ccc2[nH]cc(C3(C(=O)Nc4ccc(Br)cc4C)CC3)c2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is TVQSRYTXRQCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-12-9-13(21)3-5-17(12)23-19(24)20(7-8-20)16-11-22-18-6-4-14(25-2)10-15(16)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).