N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide

C26H25F3N2O3 — CID 176686999

IUPACN-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccccc1)N(CC(F)F)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C26H25F3N2O3/c27-21-11-6-19(7-12-21)16-30-26(34)25(20-4-2-1-3-5-20)31(17-23(28)29)24(33)15-10-18-8-13-22(32)14-9-18/h1-9,11-14,23,25,32H,10,15-17H2,(H,30,34)
InChIKeyDCFMSSRXQWDFNO-UHFFFAOYSA-N
MW470.49 g/mol
LogP4.62
Rot. Bonds10

About N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide

N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 176686999) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID176686999
Molecular FormulaC26H25F3N2O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC NameN-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccccc1)N(CC(F)F)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C26H25F3N2O3/c27-21-11-6-19(7-12-21)16-30-26(34)25(20-4-2-1-3-5-20)31(17-23(28)29)24(33)15-10-18-8-13-22(32)14-9-18/h1-9,11-14,23,25,32H,10,15-17H2,(H,30,34)
InChIKeyDCFMSSRXQWDFNO-UHFFFAOYSA-N
XLogP4.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,3-difluorocyclopentyl)methyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 176687158
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-[2-[(4-chlorophenyl)methylamino]-1-[2-(methylamino)-3-pyridinyl]-2-oxoethyl]-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)propanamide
CID 176686992
N-[2-(benzylamino)-1-(2-methyl-3-oxo-1,3-thiazolidin-3-ium-4-yl)-2-oxoethyl]-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)propanamide
CID 176686532
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 133238067
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
N-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 176686457
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide (CID 176686999) is N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide is O=C(NCc1ccc(F)cc1)C(c1ccccc1)N(CC(F)F)C(=O)CCc1ccc(O)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is DCFMSSRXQWDFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3/c27-21-11-6-19(7-12-21)16-30-26(34)25(20-4-2-1-3-5-20)31(17-23(28)29)24(33)15-10-18-8-13-22(32)14-9-18/h1-9,11-14,23,25,32H,10,15-17H2,(H,30,34).
What are the key properties of N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 470.49 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 176686999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).