N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide

C19H20BrNO3 — CID 16545454

IUPACN-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccc(Br)cc2)c(C(C)=O)c1
InChIInChI=1S/C19H20BrNO3/c1-3-4-19(23)21-16-9-10-18(17(11-16)13(2)22)24-12-14-5-7-15(20)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyQEAQWLHKCYDXHG-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.97
Rot. Bonds7

About N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide

N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide (PubChem CID 16545454) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
PubChem CID16545454
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC NameN-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2ccc(Br)cc2)c(C(C)=O)c1
InChIInChI=1S/C19H20BrNO3/c1-3-4-19(23)21-16-9-10-18(17(11-16)13(2)22)24-12-14-5-7-15(20)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyQEAQWLHKCYDXHG-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
[1-[2-acetyl-4-(butanoylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-[(dihydroxyamino)oxymethyl]benzoate
CID 89013711
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
CID 24656339
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide (CID 16545454) is N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2ccc(Br)cc2)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide?
The InChIKey is QEAQWLHKCYDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-3-4-19(23)21-16-9-10-18(17(11-16)13(2)22)24-12-14-5-7-15(20)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide?
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide has a molecular weight of 390.28 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 16545454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).