5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide

C18H20BrNO2 — CID 17350689

IUPAC5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)10-11-22-17-9-8-14(19)12-16(17)18(21)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyNLBRRXJSTLICOQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.13
Rot. Bonds6

About 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide

5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide (PubChem CID 17350689) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
PubChem CID17350689
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)10-11-22-17-9-8-14(19)12-16(17)18(21)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyNLBRRXJSTLICOQ-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-N-(4-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350704
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
5-bromo-2-(3-methylbutoxy)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17350957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide (CID 17350689) is 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide is CC(C)CCOc1ccc(Br)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide?
The InChIKey is NLBRRXJSTLICOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(2)10-11-22-17-9-8-14(19)12-16(17)18(21)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide?
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide is sourced from PubChem (CID 17350689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).