N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide

C23H23FN2O — CID 112982863

IUPACN-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)22-13-11-21(12-14-22)25-23(27)16-19-9-6-10-20(24)15-19/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyZXNGBOSGQPGXMP-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.03
Rot. Bonds7

About N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide

N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 112982863) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID112982863
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)22-13-11-21(12-14-22)25-23(27)16-19-9-6-10-20(24)15-19/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyZXNGBOSGQPGXMP-UHFFFAOYSA-N
XLogP5.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000132
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide (CID 112982863) is N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide is CCN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ZXNGBOSGQPGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)22-13-11-21(12-14-22)25-23(27)16-19-9-6-10-20(24)15-19/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide?
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 112982863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).