N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide

C16H16BrFN2O — CID 62649718

IUPACN-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-19-15-13(4-3-5-14(15)18)16(21)20-10-11-6-8-12(17)9-7-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyXFWYNLDAZZWXND-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide

N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62649718) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
PubChem CID62649718
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-19-15-13(4-3-5-14(15)18)16(21)20-10-11-6-8-12(17)9-7-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyXFWYNLDAZZWXND-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248048
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide (CID 62649718) is N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is XFWYNLDAZZWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-19-15-13(4-3-5-14(15)18)16(21)20-10-11-6-8-12(17)9-7-11/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide?
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 351.22 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62649718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).