4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

C14H14BrNO3 — CID 115369253

IUPAC4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C14H14BrNO3/c1-9-3-5-11(19-9)8-16-14(17)12-6-4-10(15)7-13(12)18-2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyGUENDVBQGPOHTC-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.29
Rot. Bonds4

About 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 115369253) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID115369253
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C14H14BrNO3/c1-9-3-5-11(19-9)8-16-14(17)12-6-4-10(15)7-13(12)18-2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyGUENDVBQGPOHTC-UHFFFAOYSA-N
XLogP3.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 115369253) is 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is COc1cc(Br)ccc1C(=O)NCc1ccc(C)o1.
What is the InChIKey of 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is GUENDVBQGPOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-9-3-5-11(19-9)8-16-14(17)12-6-4-10(15)7-13(12)18-2/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 324.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 115369253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).