N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide

C23H20F2N2O3 — CID 86897436

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
SMILESO=C(CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C23H20F2N2O3/c24-19-12-11-18(13-20(19)25)30-22(17-9-5-2-6-10-17)23(29)27-15-21(28)26-14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,28)(H,27,29)
InChIKeyFHRPTXJJWKUOKY-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide

N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide (PubChem CID 86897436) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
PubChem CID86897436
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
SMILESO=C(CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C23H20F2N2O3/c24-19-12-11-18(13-20(19)25)30-22(17-9-5-2-6-10-17)23(29)27-15-21(28)26-14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,28)(H,27,29)
InChIKeyFHRPTXJJWKUOKY-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578127
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815218
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
2-fluoro-N-[2-[(2-phenoxy-2-phenylacetyl)amino]ethyl]benzamide
CID 55982811
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
N-benzyl-3,4-difluorobenzamide
CID 1294460

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide (CID 86897436) is N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide is O=C(CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide?
The InChIKey is FHRPTXJJWKUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c24-19-12-11-18(13-20(19)25)30-22(17-9-5-2-6-10-17)23(29)27-15-21(28)26-14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide has a molecular weight of 410.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide is sourced from PubChem (CID 86897436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).