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

C15H20BrNO — CID 114108124

IUPAC4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
SMILESCCC1(CNC(=O)c2ccc(Br)c(C)c2)CCC1
InChIInChI=1S/C15H20BrNO/c1-3-15(7-4-8-15)10-17-14(18)12-5-6-13(16)11(2)9-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyITXYWLUYVCOQQJ-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.07
Rot. Bonds4

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

4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide (PubChem CID 114108124) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
PubChem CID114108124
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
SMILESCCC1(CNC(=O)c2ccc(Br)c(C)c2)CCC1
InChIInChI=1S/C15H20BrNO/c1-3-15(7-4-8-15)10-17-14(18)12-5-6-13(16)11(2)9-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyITXYWLUYVCOQQJ-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741437
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 114101897
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide (CID 114108124) is 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide is CCC1(CNC(=O)c2ccc(Br)c(C)c2)CCC1.
What is the InChIKey of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide?
The InChIKey is ITXYWLUYVCOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-15(7-4-8-15)10-17-14(18)12-5-6-13(16)11(2)9-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide?
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide has a molecular weight of 310.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 114108124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).