N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide

C18H20BrNO2 — CID 19173838

IUPACN-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-14-8-10-17(11-9-14)22-12-4-7-18(21)20-16-6-3-5-15(19)13-16/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,21)
InChIKeyWIMHLQFEXQCBBA-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.81
Rot. Bonds7

About N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide

N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide (PubChem CID 19173838) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
PubChem CID19173838
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-14-8-10-17(11-9-14)22-12-4-7-18(21)20-16-6-3-5-15(19)13-16/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,21)
InChIKeyWIMHLQFEXQCBBA-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-ethylphenoxy)butanamide
CID 108768513
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
N-(3-bromophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]pentanediamide
CID 126157759
4-(4-bromophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 5032574
N-[(3-bromophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188591
N-(3-bromophenyl)heptanamide
CID 4596383
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide (CID 19173838) is N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is WIMHLQFEXQCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-2-14-8-10-17(11-9-14)22-12-4-7-18(21)20-16-6-3-5-15(19)13-16/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide?
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 362.27 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 19173838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).