N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene

C26H27FN2O2 — CID 144888056

IUPACN-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene
SMILESCC(c1cc(F)cc(C2CC2)c1)N(CC(N)=O)C(=O)c1ccccc1.c1ccccc1
InChIInChI=1S/C20H21FN2O2.C6H6/c1-13(16-9-17(14-7-8-14)11-18(21)10-16)23(12-19(22)24)20(25)15-5-3-2-4-6-15;1-2-4-6-5-3-1/h2-6,9-11,13-14H,7-8,12H2,1H3,(H2,22,24);1-6H
InChIKeyQPCUCKFFRQNMDS-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.08
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene

N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene (PubChem CID 144888056) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene
PubChem CID144888056
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC NameN-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene
SMILESCC(c1cc(F)cc(C2CC2)c1)N(CC(N)=O)C(=O)c1ccccc1.c1ccccc1
InChIInChI=1S/C20H21FN2O2.C6H6/c1-13(16-9-17(14-7-8-14)11-18(21)10-16)23(12-19(22)24)20(25)15-5-3-2-4-6-15;1-2-4-6-5-3-1/h2-6,9-11,13-14H,7-8,12H2,1H3,(H2,22,24);1-6H
InChIKeyQPCUCKFFRQNMDS-UHFFFAOYSA-N
XLogP5.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene (CID 144888056) is N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene is CC(c1cc(F)cc(C2CC2)c1)N(CC(N)=O)C(=O)c1ccccc1.c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene?
The InChIKey is QPCUCKFFRQNMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.C6H6/c1-13(16-9-17(14-7-8-14)11-18(21)10-16)23(12-19(22)24)20(25)15-5-3-2-4-6-15;1-2-4-6-5-3-1/h2-6,9-11,13-14H,7-8,12H2,1H3,(H2,22,24);1-6H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene?
N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene has a molecular weight of 418.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene is sourced from PubChem (CID 144888056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).