3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide

C23H20F2N2O2 — CID 87006959

IUPAC3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H20F2N2O2/c24-18-9-6-16(7-10-18)8-13-22(28)26-19-11-12-20(25)21(15-19)27-23(29)14-17-4-2-1-3-5-17/h1-7,9-12,15H,8,13-14H2,(H,26,28)(H,27,29)
InChIKeyLIRUHZUBJHWXTB-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.72
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide

3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide (PubChem CID 87006959) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
PubChem CID87006959
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC Name3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H20F2N2O2/c24-18-9-6-16(7-10-18)8-13-22(28)26-19-11-12-20(25)21(15-19)27-23(29)14-17-4-2-1-3-5-17/h1-7,9-12,15H,8,13-14H2,(H,26,28)(H,27,29)
InChIKeyLIRUHZUBJHWXTB-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-[5-[(4-bromophenyl)methylamino]-2-fluorophenyl]-3-phenylpropanamide
CID 163286469
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide (CID 87006959) is 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide is O=C(CCc1ccc(F)cc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide?
The InChIKey is LIRUHZUBJHWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c24-18-9-6-16(7-10-18)8-13-22(28)26-19-11-12-20(25)21(15-19)27-23(29)14-17-4-2-1-3-5-17/h1-7,9-12,15H,8,13-14H2,(H,26,28)(H,27,29).
What are the key properties of 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide?
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide has a molecular weight of 394.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 87006959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).