2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

C16H15BrFNO — CID 60655580

IUPAC2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrFNO/c1-2-19(11-12-6-5-7-13(18)10-12)16(20)14-8-3-4-9-15(14)17/h3-10H,2,11H2,1H3
InChIKeyHMHUBOPGTVCVDZ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.25
Rot. Bonds4

About 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 60655580) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID60655580
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrFNO/c1-2-19(11-12-6-5-7-13(18)10-12)16(20)14-8-3-4-9-15(14)17/h3-10H,2,11H2,1H3
InChIKeyHMHUBOPGTVCVDZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
CID 55669173
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (CID 60655580) is 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is HMHUBOPGTVCVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-2-19(11-12-6-5-7-13(18)10-12)16(20)14-8-3-4-9-15(14)17/h3-10H,2,11H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 60655580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).