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

C20H17BrFNO2 — CID 4014685

IUPAC2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Br)o1
InChIInChI=1S/C20H17BrFNO2/c1-14-6-11-17(25-14)13-23(12-15-7-9-16(22)10-8-15)20(24)18-4-2-3-5-19(18)21/h2-11H,12-13H2,1H3
InChIKeyXVQZHCOUERZJRG-UHFFFAOYSA-N
MW402.26 g/mol
LogP5.33
Rot. Bonds5

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

2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 4014685) has the molecular formula C20H17BrFNO2 and a molecular weight of 402.26 g/mol. Its IUPAC name is 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID4014685
Molecular FormulaC20H17BrFNO2
Molecular Weight402.26 g/mol
Exact Mass401.04
IUPAC Name2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Br)o1
InChIInChI=1S/C20H17BrFNO2/c1-14-6-11-17(25-14)13-23(12-15-7-9-16(22)10-8-15)20(24)18-4-2-3-5-19(18)21/h2-11H,12-13H2,1H3
InChIKeyXVQZHCOUERZJRG-UHFFFAOYSA-N
XLogP5.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.26
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
CID 17012064
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058724
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3478326
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
3-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058711
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 4014685) is 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is XVQZHCOUERZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO2/c1-14-6-11-17(25-14)13-23(12-15-7-9-16(22)10-8-15)20(24)18-4-2-3-5-19(18)21/h2-11H,12-13H2,1H3.
What are the key properties of 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 402.26 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 4014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).