2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide

C23H22FN3O3 — CID 16610917

IUPAC2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(=O)Nc2ccccc2F)Cc2ccccc2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-19-13-11-18(12-14-19)27(15-17-7-3-2-4-8-17)16-22(28)26-23(29)25-21-10-6-5-9-20(21)24/h2-14H,15-16H2,1H3,(H2,25,26,28,29)
InChIKeyGLYSMAIVZLHSCM-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.19
Rot. Bonds7

About 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide

2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 16610917) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID16610917
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(=O)Nc2ccccc2F)Cc2ccccc2)cc1
InChIInChI=1S/C23H22FN3O3/c1-30-19-13-11-18(12-14-19)27(15-17-7-3-2-4-8-17)16-22(28)26-23(29)25-21-10-6-5-9-20(21)24/h2-14H,15-16H2,1H3,(H2,25,26,28,29)
InChIKeyGLYSMAIVZLHSCM-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 41479536
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
N-[(2-fluorophenyl)carbamoyl]-2-(N-methylanilino)acetamide
CID 8689408
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
CID 41479571
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-fluorophenyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 3220057

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 16610917) is 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide is COc1ccc(N(CC(=O)NC(=O)Nc2ccccc2F)Cc2ccccc2)cc1.
What is the InChIKey of 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is GLYSMAIVZLHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-30-19-13-11-18(12-14-19)27(15-17-7-3-2-4-8-17)16-22(28)26-23(29)25-21-10-6-5-9-20(21)24/h2-14H,15-16H2,1H3,(H2,25,26,28,29).
What are the key properties of 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 16610917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).