N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide

C15H19BrN2O2 — CID 47109483

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-12(10)15(19)17-13-9-11(16)2-3-14(13)18-4-6-20-7-5-18/h2-3,9-10,12H,4-8H2,1H3,(H,17,19)
InChIKeyZJDHVPUDPOLKRJ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.88
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 47109483) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID47109483
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-12(10)15(19)17-13-9-11(16)2-3-14(13)18-4-6-20-7-5-18/h2-3,9-10,12H,4-8H2,1H3,(H,17,19)
InChIKeyZJDHVPUDPOLKRJ-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
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CID 120640206
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
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2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
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CID 119833788
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CID 119833776
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CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide (CID 47109483) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZJDHVPUDPOLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-8-12(10)15(19)17-13-9-11(16)2-3-14(13)18-4-6-20-7-5-18/h2-3,9-10,12H,4-8H2,1H3,(H,17,19).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47109483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).