2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide

C25H23FN2O3 — CID 9018501

IUPAC2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C25H23FN2O3/c26-22-12-6-4-8-18(22)16-28(20-14-15-20)24(29)17-31-23-13-7-5-11-21(23)25(30)27-19-9-2-1-3-10-19/h1-13,20H,14-17H2,(H,27,30)
InChIKeyGVBAKJHZRVCKQG-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.65
Rot. Bonds8

About 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 9018501) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID9018501
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C25H23FN2O3/c26-22-12-6-4-8-18(22)16-28(20-14-15-20)24(29)17-31-23-13-7-5-11-21(23)25(30)27-19-9-2-1-3-10-19/h1-13,20H,14-17H2,(H,27,30)
InChIKeyGVBAKJHZRVCKQG-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927485
N-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 23605413
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 40643590
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
2-[2-oxo-2-(N-propan-2-ylanilino)ethoxy]-N-phenylbenzamide
CID 7919585
2-(4-chloro-3-methylphenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 55391124
2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8587517
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9288941

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide (CID 9018501) is 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is GVBAKJHZRVCKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-22-12-6-4-8-18(22)16-28(20-14-15-20)24(29)17-31-23-13-7-5-11-21(23)25(30)27-19-9-2-1-3-10-19/h1-13,20H,14-17H2,(H,27,30).
What are the key properties of 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 418.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 9018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).