N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide

C22H21FN2O2 — CID 102492656

IUPACN-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NC(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O2/c1-27-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)22(26)24-15-16-5-3-2-4-6-16/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyKOGNJXPIKXOHKK-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.30
Rot. Bonds7

About N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide

N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 102492656) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
PubChem CID102492656
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NC(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O2/c1-27-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)22(26)24-15-16-5-3-2-4-6-16/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyKOGNJXPIKXOHKK-UHFFFAOYSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
CID 175404541
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-benzyl-2-(4-carbamimidoylanilino)-2-(3,5-dimethoxyphenyl)acetamide
CID 23283482
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
(2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)-1-[4-(2-phenylethyl)phenyl]ethanone
CID 175404533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide (CID 102492656) is N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide is COc1ccc(NC(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is KOGNJXPIKXOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-27-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)22(26)24-15-16-5-3-2-4-6-16/h2-14,21,25H,15H2,1H3,(H,24,26).
What are the key properties of N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 364.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 102492656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).