4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

C18H20BrNO3 — CID 78879460

IUPAC4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESO=C(CCCOc1ccccc1Br)NC1CCCc2occc21
InChIInChI=1S/C18H20BrNO3/c19-14-5-1-2-7-17(14)22-11-4-9-18(21)20-15-6-3-8-16-13(15)10-12-23-16/h1-2,5,7,10,12,15H,3-4,6,8-9,11H2,(H,20,21)
InChIKeyGIZHKSAKSQNGMC-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.39
Rot. Bonds6

About 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (PubChem CID 78879460) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
PubChem CID78879460
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESO=C(CCCOc1ccccc1Br)NC1CCCc2occc21
InChIInChI=1S/C18H20BrNO3/c19-14-5-1-2-7-17(14)22-11-4-9-18(21)20-15-6-3-8-16-13(15)10-12-23-16/h1-2,5,7,10,12,15H,3-4,6,8-9,11H2,(H,20,21)
InChIKeyGIZHKSAKSQNGMC-UHFFFAOYSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 86926255
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
CID 47041102
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
4-[3-oxo-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]benzoic acid
CID 75513274
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
CID 86923897
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (CID 78879460) is 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is O=C(CCCOc1ccccc1Br)NC1CCCc2occc21.
What is the InChIKey of 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The InChIKey is GIZHKSAKSQNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c19-14-5-1-2-7-17(14)22-11-4-9-18(21)20-15-6-3-8-16-13(15)10-12-23-16/h1-2,5,7,10,12,15H,3-4,6,8-9,11H2,(H,20,21).
What are the key properties of 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide has a molecular weight of 378.27 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is sourced from PubChem (CID 78879460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).