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

C16H14F2N2O2 — CID 175385213

IUPACN-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
SMILESNCCN(C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-13-5-1-11(2-6-13)15(21)20(10-9-19)16(22)12-3-7-14(18)8-4-12/h1-8H,9-10,19H2
InChIKeyWVSFJNLKGBECKT-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.21
Rot. Bonds4

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

N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide (PubChem CID 175385213) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
PubChem CID175385213
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
SMILESNCCN(C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-13-5-1-11(2-6-13)15(21)20(10-9-19)16(22)12-3-7-14(18)8-4-12/h1-8H,9-10,19H2
InChIKeyWVSFJNLKGBECKT-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
copper;bis(ethane-1,2-diamine);bis(4-fluorobenzoate);dihydrate
CID 139066859
N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 156562830
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
CID 67919243
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
4-fluorobenzohydrazide
CID 9972
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide (CID 175385213) is N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide is NCCN(C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The InChIKey is WVSFJNLKGBECKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-13-5-1-11(2-6-13)15(21)20(10-9-19)16(22)12-3-7-14(18)8-4-12/h1-8H,9-10,19H2.
What are the key properties of N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide is sourced from PubChem (CID 175385213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).