2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C15H20BrNO2 — CID 113252964

IUPAC2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(C(C)C)CC2)c1
InChIInChI=1S/C15H20BrNO2/c1-10(2)15(6-7-15)9-17-14(18)12-8-11(19-3)4-5-13(12)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyZTMKQVKIKSYFDT-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.62
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 113252964) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID113252964
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(C(C)C)CC2)c1
InChIInChI=1S/C15H20BrNO2/c1-10(2)15(6-7-15)9-17-14(18)12-8-11(19-3)4-5-13(12)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyZTMKQVKIKSYFDT-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
CID 91631307
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
CID 30522406
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 113252964) is 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCC2(C(C)C)CC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is ZTMKQVKIKSYFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10(2)15(6-7-15)9-17-14(18)12-8-11(19-3)4-5-13(12)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 113252964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).