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

C12H9BrClNO2 — CID 896756

IUPAC5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyKISGBBDNDOHZDU-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.63
Rot. Bonds3

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

5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide (PubChem CID 896756) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
PubChem CID896756
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyKISGBBDNDOHZDU-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

2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
CID 47204861
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide (CID 896756) is 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KISGBBDNDOHZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-(furan-2-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-2-ylmethyl)benzamide is sourced from PubChem (CID 896756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).