2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide

C14H18BrNO3 — CID 142537195

IUPAC2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(Br)cc(OCC2CC2)c1
InChIInChI=1S/C14H18BrNO3/c1-16(2)14(17)9-19-13-6-11(15)5-12(7-13)18-8-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyMGRHUPPMJQYPFX-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.70
Rot. Bonds6

About 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide

2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide (PubChem CID 142537195) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide
PubChem CID142537195
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(Br)cc(OCC2CC2)c1
InChIInChI=1S/C14H18BrNO3/c1-16(2)14(17)9-19-13-6-11(15)5-12(7-13)18-8-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyMGRHUPPMJQYPFX-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-5-(cyclopropylmethoxy)phenyl]propan-1-one
CID 162239378
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide
CID 165355331
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
[3-bromo-5-(cyclopentylmethoxy)phenyl]methanol
CID 162342873
3-amino-1-[3-bromo-5-(cyclobutylmethoxy)phenyl]propan-1-one
CID 117497179
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
CID 78760649
1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
CID 117478635
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide (CID 142537195) is 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(Br)cc(OCC2CC2)c1.
What is the InChIKey of 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide?
The InChIKey is MGRHUPPMJQYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-16(2)14(17)9-19-13-6-11(15)5-12(7-13)18-8-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide?
2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide has a molecular weight of 328.21 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(cyclopropylmethoxy)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 142537195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).