N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide

C14H17BrN2O3 — CID 47328613

IUPACN-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Br)c(CNC(=O)CNC(=O)C2CC2)c1
InChIInChI=1S/C14H17BrN2O3/c1-20-11-4-5-12(15)10(6-11)7-16-13(18)8-17-14(19)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyUEKUEVZIZOXTFV-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.60
Rot. Bonds6

About N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 47328613) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID47328613
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC NameN-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Br)c(CNC(=O)CNC(=O)C2CC2)c1
InChIInChI=1S/C14H17BrN2O3/c1-20-11-4-5-12(15)10(6-11)7-16-13(18)8-17-14(19)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyUEKUEVZIZOXTFV-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
CID 119297083
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
(2S,5R)-5-(aminomethyl)-N-[(2-bromo-5-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120788732
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
CID 65325759
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide (CID 47328613) is N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide is COc1ccc(Br)c(CNC(=O)CNC(=O)C2CC2)c1.
What is the InChIKey of N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is UEKUEVZIZOXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-20-11-4-5-12(15)10(6-11)7-16-13(18)8-17-14(19)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47328613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).