4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide

C16H18BrNO3 — CID 9481896

IUPAC4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCCOc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C16H18BrNO3/c1-12(15-4-2-11-21-15)18-16(19)5-3-10-20-14-8-6-13(17)7-9-14/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNZUDWWJMNGVNPG-LBPRGKRZSA-N
MW352.23 g/mol
LogP4.08
Rot. Bonds7

About 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide

4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide (PubChem CID 9481896) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
PubChem CID9481896
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCCOc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C16H18BrNO3/c1-12(15-4-2-11-21-15)18-16(19)5-3-10-20-14-8-6-13(17)7-9-14/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNZUDWWJMNGVNPG-LBPRGKRZSA-N
XLogP4.08
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9482211
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 9492458

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide (CID 9481896) is 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide is C[C@H](NC(=O)CCCOc1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide?
The InChIKey is NZUDWWJMNGVNPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-12(15-4-2-11-21-15)18-16(19)5-3-10-20-14-8-6-13(17)7-9-14/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide?
4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide has a molecular weight of 352.23 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide is sourced from PubChem (CID 9481896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).