5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

C17H12BrClN2O2 — CID 121197085

IUPAC5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H12BrClN2O2/c18-13-3-4-15(19)14(7-13)17(22)21-9-11-6-12(10-20-8-11)16-2-1-5-23-16/h1-8,10H,9H2,(H,21,22)
InChIKeyCNKLVOWIRONUMV-UHFFFAOYSA-N
MW391.65 g/mol
LogP4.69
Rot. Bonds4

About 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121197085) has the molecular formula C17H12BrClN2O2 and a molecular weight of 391.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121197085
Molecular FormulaC17H12BrClN2O2
Molecular Weight391.65 g/mol
Exact Mass389.98
IUPAC Name5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H12BrClN2O2/c18-13-3-4-15(19)14(7-13)17(22)21-9-11-6-12(10-20-8-11)16-2-1-5-23-16/h1-8,10H,9H2,(H,21,22)
InChIKeyCNKLVOWIRONUMV-UHFFFAOYSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (CID 121197085) is 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is O=C(NCc1cncc(-c2ccco2)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is CNKLVOWIRONUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2/c18-13-3-4-15(19)14(7-13)17(22)21-9-11-6-12(10-20-8-11)16-2-1-5-23-16/h1-8,10H,9H2,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 391.65 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121197085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).