3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide

C16H15BrFNO2 — CID 60661053

IUPAC3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO2/c1-3-19(13-7-5-12(18)6-8-13)16(20)11-4-9-15(21-2)14(17)10-11/h4-10H,3H2,1-2H3
InChIKeyLBGJYUJMGICHQF-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide

3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide (PubChem CID 60661053) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
PubChem CID60661053
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO2/c1-3-19(13-7-5-12(18)6-8-13)16(20)11-4-9-15(21-2)14(17)10-11/h4-10H,3H2,1-2H3
InChIKeyLBGJYUJMGICHQF-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
N-ethyl-N-(4-fluorophenyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 86827874
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide (CID 60661053) is 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide?
The InChIKey is LBGJYUJMGICHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-19(13-7-5-12(18)6-8-13)16(20)11-4-9-15(21-2)14(17)10-11/h4-10H,3H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide?
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 60661053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).