methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate

C26H25FN2O3 — CID 25246471

IUPACmethyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25FN2O3/c1-16-17(2)25(30)29(15-18-8-12-22(27)13-9-18)24(16)28-23(26(31)32-3)21-11-10-19-6-4-5-7-20(19)14-21/h4-14,23-24,28H,15H2,1-3H3
InChIKeyCVDHVRYSSGYHQW-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.49
Rot. Bonds6

About methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate

methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate (PubChem CID 25246471) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate
PubChem CID25246471
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25FN2O3/c1-16-17(2)25(30)29(15-18-8-12-22(27)13-9-18)24(16)28-23(26(31)32-3)21-11-10-19-6-4-5-7-20(19)14-21/h4-14,23-24,28H,15H2,1-3H3
InChIKeyCVDHVRYSSGYHQW-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate with MolForge

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Related Compounds

methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate
CID 25246687
methyl 2-[[2-[(4-fluorophenyl)methyl]-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]amino]-2-(3-methoxyphenyl)acetate
CID 25246419
[(2R)-1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 7301229
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
CID 86802068
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
CID 97350475
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
CID 162623015
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
ethyl 2-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713811
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate?
The IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate (CID 25246471) is methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate is COC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate?
The InChIKey is CVDHVRYSSGYHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-16-17(2)25(30)29(15-18-8-12-22(27)13-9-18)24(16)28-23(26(31)32-3)21-11-10-19-6-4-5-7-20(19)14-21/h4-14,23-24,28H,15H2,1-3H3.
What are the key properties of methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate?
methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate has a molecular weight of 432.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-2-naphthalen-2-ylacetate is sourced from PubChem (CID 25246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).