N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide

C15H14F2N2O — CID 28769276

IUPACN-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
SMILESNCCN(C(=O)c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c16-11-5-7-12(8-6-11)19(10-9-18)15(20)13-3-1-2-4-14(13)17/h1-8H,9-10,18H2
InChIKeyKASWRSYMGXFNAL-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.57
Rot. Bonds4

About N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide

N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide (PubChem CID 28769276) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
PubChem CID28769276
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
SMILESNCCN(C(=O)c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c16-11-5-7-12(8-6-11)19(10-9-18)15(20)13-3-1-2-4-14(13)17/h1-8H,9-10,18H2
InChIKeyKASWRSYMGXFNAL-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide (CID 28769276) is N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide is NCCN(C(=O)c1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide?
The InChIKey is KASWRSYMGXFNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-5-7-12(8-6-11)19(10-9-18)15(20)13-3-1-2-4-14(13)17/h1-8H,9-10,18H2.
What are the key properties of N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide?
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 28769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).