N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide

C15H20BrNO2 — CID 103520091

IUPACN-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-17(11-12-5-3-6-13(16)9-12)14(18)10-15(19-2)7-4-8-15/h3,5-6,9H,4,7-8,10-11H2,1-2H3
InChIKeyCIZWOHMMXDMDQD-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.37
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide

N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide (PubChem CID 103520091) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
PubChem CID103520091
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-17(11-12-5-3-6-13(16)9-12)14(18)10-15(19-2)7-4-8-15/h3,5-6,9H,4,7-8,10-11H2,1-2H3
InChIKeyCIZWOHMMXDMDQD-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 62679370
N-[(3-bromo-4-fluorophenyl)methyl]-3-hydroxy-N-methylbut-3-enamide
CID 141046461
N-[(3-bromophenyl)methyl]-N-methylpropanamide
CID 60736807
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclobutanecarboxamide
CID 60427050
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclobutanecarboxamide
CID 60429403
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
CID 60431313
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide
CID 75871924
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylhexanamide
CID 78852081
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103020675
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-methoxypropanamide
CID 110924172
N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111464497
N-[(3-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 113788304

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide (CID 103520091) is N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide is COC1(CC(=O)N(C)Cc2cccc(Br)c2)CCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide?
The InChIKey is CIZWOHMMXDMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-17(11-12-5-3-6-13(16)9-12)14(18)10-15(19-2)7-4-8-15/h3,5-6,9H,4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide?
N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide has a molecular weight of 326.23 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103520091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).