2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide

C22H21FN2O — CID 42852618

IUPAC2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(NCc2ccccc2)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O/c23-20-10-6-19(7-11-20)16-25-22(26)14-17-8-12-21(13-9-17)24-15-18-4-2-1-3-5-18/h1-13,24H,14-16H2,(H,25,26)
InChIKeyWYSAPTWLFYTRCZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.30
Rot. Bonds7

About 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 42852618) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID42852618
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(NCc2ccccc2)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O/c23-20-10-6-19(7-11-20)16-25-22(26)14-17-8-12-21(13-9-17)24-15-18-4-2-1-3-5-18/h1-13,24H,14-16H2,(H,25,26)
InChIKeyWYSAPTWLFYTRCZ-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 42852618) is 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(NCc2ccccc2)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WYSAPTWLFYTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-20-10-6-19(7-11-20)16-25-22(26)14-17-8-12-21(13-9-17)24-15-18-4-2-1-3-5-18/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 42852618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).