(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide

C16H16BrNO3 — CID 107861463

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H16BrNO3/c17-15-8-6-14(21-15)7-9-16(20)18-13(11-19)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2,(H,18,20)/b9-7+/t13-/m1/s1
InChIKeyBWMJMQHWSPUDBN-BUUCAEBMSA-N
MW350.21 g/mol
LogP2.78
Rot. Bonds6

About (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide (PubChem CID 107861463) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
PubChem CID107861463
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H16BrNO3/c17-15-8-6-14(21-15)7-9-16(20)18-13(11-19)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2,(H,18,20)/b9-7+/t13-/m1/s1
InChIKeyBWMJMQHWSPUDBN-BUUCAEBMSA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(1-hydroxy-4-methoxybutan-2-yl)prop-2-enamide
CID 114211390
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
(E)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 102096307
(E)-3-(5-bromofuran-2-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103850883
(E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 102673578
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 137349985
(E)-3-(5-chlorothiophen-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 102673587
3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 3913025
(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 46797124
(2S)-2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-N,4-dimethylpentanamide
CID 154775797
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide (CID 107861463) is (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide?
The InChIKey is BWMJMQHWSPUDBN-BUUCAEBMSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-15-8-6-14(21-15)7-9-16(20)18-13(11-19)10-12-4-2-1-3-5-12/h1-9,13,19H,10-11H2,(H,18,20)/b9-7+/t13-/m1/s1.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide has a molecular weight of 350.21 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide is sourced from PubChem (CID 107861463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).