2-bromo-5-methyl-N-(3-phenylbutyl)benzamide

C18H20BrNO — CID 80999630

IUPAC2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C18H20BrNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyNEBIJMLVUCMJGW-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.68
Rot. Bonds5

About 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide

2-bromo-5-methyl-N-(3-phenylbutyl)benzamide (PubChem CID 80999630) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
PubChem CID80999630
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C18H20BrNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyNEBIJMLVUCMJGW-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
2-bromo-N-(3-bromobutyl)-5-methylbenzamide
CID 114312710
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-(3-phenylbutyl)benzamide
CID 62403316
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide (CID 80999630) is 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide is Cc1ccc(Br)c(C(=O)NCCC(C)c2ccccc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide?
The InChIKey is NEBIJMLVUCMJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide?
2-bromo-5-methyl-N-(3-phenylbutyl)benzamide has a molecular weight of 346.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(3-phenylbutyl)benzamide is sourced from PubChem (CID 80999630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).