N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide

C19H19FN2O3 — CID 144888125

IUPACN-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESNC(=O)CN(Cc1cc(C2CC2)ccc1F)C(=O)c1ccccc1O
InChIInChI=1S/C19H19FN2O3/c20-16-8-7-13(12-5-6-12)9-14(16)10-22(11-18(21)24)19(25)15-3-1-2-4-17(15)23/h1-4,7-9,12,23H,5-6,10-11H2,(H2,21,24)
InChIKeyKGLMYLQAUKERPB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.54
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide

N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide (PubChem CID 144888125) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide
PubChem CID144888125
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESNC(=O)CN(Cc1cc(C2CC2)ccc1F)C(=O)c1ccccc1O
InChIInChI=1S/C19H19FN2O3/c20-16-8-7-13(12-5-6-12)9-14(16)10-22(11-18(21)24)19(25)15-3-1-2-4-17(15)23/h1-4,7-9,12,23H,5-6,10-11H2,(H2,21,24)
InChIKeyKGLMYLQAUKERPB-UHFFFAOYSA-N
XLogP2.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide (CID 144888125) is N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide is NC(=O)CN(Cc1cc(C2CC2)ccc1F)C(=O)c1ccccc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide?
The InChIKey is KGLMYLQAUKERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-8-7-13(12-5-6-12)9-14(16)10-22(11-18(21)24)19(25)15-3-1-2-4-17(15)23/h1-4,7-9,12,23H,5-6,10-11H2,(H2,21,24).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide?
N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 144888125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).