5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide

C12H9BrClNO2 — CID 47204861

IUPAC5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyBJLFYFRNEPRFPR-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide

5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide (PubChem CID 47204861) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
PubChem CID47204861
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeyBJLFYFRNEPRFPR-UHFFFAOYSA-N
XLogP3.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721969
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
5-chloro-N-(furan-3-ylmethyl)-2-hydroxybenzamide
CID 47204985
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide (CID 47204861) is 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide is O=C(NCc1ccoc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide?
The InChIKey is BJLFYFRNEPRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide?
5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide has a molecular weight of 314.57 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide is sourced from PubChem (CID 47204861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).