N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide

C25H25FN2O3 — CID 46057051

IUPACN-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN2O3/c1-18-6-8-19(9-7-18)16-28(25(30)17-31-2)23-5-3-4-20(14-23)15-24(29)27-22-12-10-21(26)11-13-22/h3-14H,15-17H2,1-2H3,(H,27,29)
InChIKeyJGPBORPMPWDHRZ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.49
Rot. Bonds8

About N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide

N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide (PubChem CID 46057051) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
PubChem CID46057051
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN2O3/c1-18-6-8-19(9-7-18)16-28(25(30)17-31-2)23-5-3-4-20(14-23)15-24(29)27-22-12-10-21(26)11-13-22/h3-14H,15-17H2,1-2H3,(H,27,29)
InChIKeyJGPBORPMPWDHRZ-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 46056352
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056889
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46057086
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
N-[3-[2-(3-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
CID 42859630
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
ethyl 1-[2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46057071

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide (CID 46057051) is N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide is COCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide?
The InChIKey is JGPBORPMPWDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-18-6-8-19(9-7-18)16-28(25(30)17-31-2)23-5-3-4-20(14-23)15-24(29)27-22-12-10-21(26)11-13-22/h3-14H,15-17H2,1-2H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide?
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide is sourced from PubChem (CID 46057051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).