5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide

C18H19BrClNO2 — CID 17350678

IUPAC5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19BrClNO2/c1-12(2)8-9-23-17-7-6-13(19)10-16(17)18(22)21-15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22)
InChIKeyIRGJPOVXFLQFBY-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.78
Rot. Bonds6

About 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide

5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide (PubChem CID 17350678) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
PubChem CID17350678
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19BrClNO2/c1-12(2)8-9-23-17-7-6-13(19)10-16(17)18(22)21-15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22)
InChIKeyIRGJPOVXFLQFBY-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-N-(4-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350704
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide (CID 17350678) is 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide?
The InChIKey is IRGJPOVXFLQFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-12(2)8-9-23-17-7-6-13(19)10-16(17)18(22)21-15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide?
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide has a molecular weight of 396.71 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17350678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).