2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C14H13BrFNO2 — CID 61380894

IUPAC2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO2/c1-9-10(5-6-19-9)8-17(2)14(18)12-4-3-11(16)7-13(12)15/h3-7H,8H2,1-2H3
InChIKeyLABVUMVCJPZKIB-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 61380894) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID61380894
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO2/c1-9-10(5-6-19-9)8-17(2)14(18)12-4-3-11(16)7-13(12)15/h3-7H,8H2,1-2H3
InChIKeyLABVUMVCJPZKIB-UHFFFAOYSA-N
XLogP3.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55261585
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836
2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31750922
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64765230

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 61380894) is 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1occc1CN(C)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is LABVUMVCJPZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-9-10(5-6-19-9)8-17(2)14(18)12-4-3-11(16)7-13(12)15/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 326.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 61380894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).