4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide

C14H14BrNO2 — CID 121127042

IUPAC4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccoc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-10(8-11-6-7-18-9-11)16-14(17)12-2-4-13(15)5-3-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyVRXWEAOXNLFNEQ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.40
Rot. Bonds4

About 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide

4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide (PubChem CID 121127042) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
PubChem CID121127042
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccoc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-10(8-11-6-7-18-9-11)16-14(17)12-2-4-13(15)5-3-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyVRXWEAOXNLFNEQ-UHFFFAOYSA-N
XLogP3.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
8-bromo-N-[1-(furan-3-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166355718
N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
CID 55778771
methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate
CID 25139378
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
4-bromo-N-heptan-2-ylbenzamide
CID 3735409

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide (CID 121127042) is 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide is CC(Cc1ccoc1)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide?
The InChIKey is VRXWEAOXNLFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10(8-11-6-7-18-9-11)16-14(17)12-2-4-13(15)5-3-12/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide?
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide has a molecular weight of 308.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 121127042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).