2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

C14H18BrNO2 — CID 70610859

IUPAC2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CC2Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-9(2)18-11-6-4-10(5-7-11)16-13(17)14(3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyOZUNIXXKRFLWTI-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.59
Rot. Bonds4

About 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 70610859) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID70610859
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CC2Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-9(2)18-11-6-4-10(5-7-11)16-13(17)14(3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyOZUNIXXKRFLWTI-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 70610581
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779192
2,2-dimethyl-3-[(4-propan-2-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835183
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-butan-2-yl-N-(4-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 70611289
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 70610859) is 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2(C)CC2Br)cc1.
What is the InChIKey of 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is OZUNIXXKRFLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9(2)18-11-6-4-10(5-7-11)16-13(17)14(3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70610859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).