3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide

C13H16BrNO2 — CID 115766099

IUPAC3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCC2)cc1Br
InChIInChI=1S/C13H16BrNO2/c1-13(6-3-7-13)15-12(16)9-4-5-11(17-2)10(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUUNFBKMXMJPFOI-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.13
Rot. Bonds3

About 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide

3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide (PubChem CID 115766099) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
PubChem CID115766099
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCC2)cc1Br
InChIInChI=1S/C13H16BrNO2/c1-13(6-3-7-13)15-12(16)9-4-5-11(17-2)10(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUUNFBKMXMJPFOI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide (CID 115766099) is 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide is COc1ccc(C(=O)NC2(C)CCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide?
The InChIKey is UUNFBKMXMJPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-13(6-3-7-13)15-12(16)9-4-5-11(17-2)10(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide?
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide has a molecular weight of 298.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 115766099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).