3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide

C14H14BrNO3 — CID 97106275

IUPAC3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO3/c15-12-3-1-2-10(8-12)14(18)16-6-4-13(17)11-5-7-19-9-11/h1-3,5,7-9,13,17H,4,6H2,(H,16,18)/t13-/m1/s1
InChIKeyZIHNLTWEOPCJHG-CYBMUJFWSA-N
MW324.17 g/mol
LogP2.90
Rot. Bonds5

About 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide

3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide (PubChem CID 97106275) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
PubChem CID97106275
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO3/c15-12-3-1-2-10(8-12)14(18)16-6-4-13(17)11-5-7-19-9-11/h1-3,5,7-9,13,17H,4,6H2,(H,16,18)/t13-/m1/s1
InChIKeyZIHNLTWEOPCJHG-CYBMUJFWSA-N
XLogP2.90
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The IUPAC name of 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide (CID 97106275) is 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide is O=C(NCC[C@@H](O)c1ccoc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The InChIKey is ZIHNLTWEOPCJHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-12-3-1-2-10(8-12)14(18)16-6-4-13(17)11-5-7-19-9-11/h1-3,5,7-9,13,17H,4,6H2,(H,16,18)/t13-/m1/s1.
What are the key properties of 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide?
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide has a molecular weight of 324.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 97106275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).