N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide

C17H14BrFN2O2 — CID 70872954

IUPACN-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide
SMILESN#Cc1ccc(F)c(C(=O)N(CCO)Cc2ccccc2)c1Br
InChIInChI=1S/C17H14BrFN2O2/c18-16-13(10-20)6-7-14(19)15(16)17(23)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,22H,8-9,11H2
InChIKeyKQEZQRABMDVGQT-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.09
Rot. Bonds5

About N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide

N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 70872954) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID70872954
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC NameN-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide
SMILESN#Cc1ccc(F)c(C(=O)N(CCO)Cc2ccccc2)c1Br
InChIInChI=1S/C17H14BrFN2O2/c18-16-13(10-20)6-7-14(19)15(16)17(23)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,22H,8-9,11H2
InChIKeyKQEZQRABMDVGQT-UHFFFAOYSA-N
XLogP3.09
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 59483477
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide (CID 70872954) is N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide is N#Cc1ccc(F)c(C(=O)N(CCO)Cc2ccccc2)c1Br.
What is the InChIKey of N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is KQEZQRABMDVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-16-13(10-20)6-7-14(19)15(16)17(23)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,22H,8-9,11H2.
What are the key properties of N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide?
N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 377.21 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-3-cyano-6-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 70872954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).