N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide

C25H25FN2O2 — CID 57214135

IUPACN-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
SMILESCc1cccc(N(C)C(=O)Cc2cccc(N(C)C(=O)Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H25FN2O2/c1-18-6-4-8-22(14-18)27(2)25(30)17-20-7-5-9-23(15-20)28(3)24(29)16-19-10-12-21(26)13-11-19/h4-15H,16-17H2,1-3H3
InChIKeyBEFPJXTYDCDJEO-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.55
Rot. Bonds6

About N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide

N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 57214135) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID57214135
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
SMILESCc1cccc(N(C)C(=O)Cc2cccc(N(C)C(=O)Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H25FN2O2/c1-18-6-4-8-22(14-18)27(2)25(30)17-20-7-5-9-23(15-20)28(3)24(29)16-19-10-12-21(26)13-11-19/h4-15H,16-17H2,1-3H3
InChIKeyBEFPJXTYDCDJEO-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
2-(4-fluorophenyl)-N-methyl-N-quinoxalin-6-ylacetamide
CID 110869504
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
CID 57069223
3-[N-[(4-fluorophenyl)methyl]-3-methylanilino]propanoic acid
CID 82317416
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide (CID 57214135) is N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide is Cc1cccc(N(C)C(=O)Cc2cccc(N(C)C(=O)Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is BEFPJXTYDCDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-18-6-4-8-22(14-18)27(2)25(30)17-20-7-5-9-23(15-20)28(3)24(29)16-19-10-12-21(26)13-11-19/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide?
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 404.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 57214135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).