N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide

C20H22BrNO3 — CID 17350697

IUPACN-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C20H22BrNO3/c1-13(2)10-11-25-19-9-6-16(21)12-18(19)20(24)22-17-7-4-15(5-8-17)14(3)23/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyAQYYUCSVLMWCPA-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.33
Rot. Bonds7

About N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide

N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide (PubChem CID 17350697) has the molecular formula C20H22BrNO3 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
PubChem CID17350697
Molecular FormulaC20H22BrNO3
Molecular Weight404.30 g/mol
Exact Mass403.08
IUPAC NameN-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C20H22BrNO3/c1-13(2)10-11-25-19-9-6-16(21)12-18(19)20(24)22-17-7-4-15(5-8-17)14(3)23/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeyAQYYUCSVLMWCPA-UHFFFAOYSA-N
XLogP5.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetylphenyl)carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350967
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
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-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783
N-[4-[[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 17350925

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide (CID 17350697) is N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide is CC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide?
The InChIKey is AQYYUCSVLMWCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO3/c1-13(2)10-11-25-19-9-6-16(21)12-18(19)20(24)22-17-7-4-15(5-8-17)14(3)23/h4-9,12-13H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide?
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide has a molecular weight of 404.30 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).