N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide

C22H16BrNO4 — CID 35341214

IUPACN-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H16BrNO4/c23-16-8-9-18-19(25)12-21(28-20(18)11-16)22(26)24(14-17-7-4-10-27-17)13-15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyLCKHUWNLLNDILX-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.99
Rot. Bonds5

About N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide

N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide (PubChem CID 35341214) has the molecular formula C22H16BrNO4 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
PubChem CID35341214
Molecular FormulaC22H16BrNO4
Molecular Weight438.28 g/mol
Exact Mass437.03
IUPAC NameN-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H16BrNO4/c23-16-8-9-18-19(25)12-21(28-20(18)11-16)22(26)24(14-17-7-4-10-27-17)13-15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyLCKHUWNLLNDILX-UHFFFAOYSA-N
XLogP4.99
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35345694
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 35342487
N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 35341301
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016
N,N-dibenzylfuran-2-carboxamide
CID 762503
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide (CID 35341214) is N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide is O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide?
The InChIKey is LCKHUWNLLNDILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO4/c23-16-8-9-18-19(25)12-21(28-20(18)11-16)22(26)24(14-17-7-4-10-27-17)13-15-5-2-1-3-6-15/h1-12H,13-14H2.
What are the key properties of N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide?
N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide has a molecular weight of 438.28 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35341214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).