3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide

C15H20BrNO2 — CID 103741367

IUPAC3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
SMILESCCC1(CNC(=O)c2ccc(OC)c(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-3-15(7-4-8-15)10-17-14(18)11-5-6-13(19-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyYIGLSXXWYAHXSG-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.77
Rot. Bonds5

About 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide

3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide (PubChem CID 103741367) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
PubChem CID103741367
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
SMILESCCC1(CNC(=O)c2ccc(OC)c(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-3-15(7-4-8-15)10-17-14(18)11-5-6-13(19-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyYIGLSXXWYAHXSG-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741437
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide (CID 103741367) is 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide is CCC1(CNC(=O)c2ccc(OC)c(Br)c2)CCC1.
What is the InChIKey of 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide?
The InChIKey is YIGLSXXWYAHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-15(7-4-8-15)10-17-14(18)11-5-6-13(19-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide?
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 103741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).