2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide

C23H18N2O2 — CID 17419674

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c1-16-20-9-5-6-10-21(20)23(27)25(16)15-22(26)24-19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,1,15H2,(H,24,26)
InChIKeyXVYMUVKAVZTXEI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.42
Rot. Bonds4

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 17419674) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
PubChem CID17419674
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c1-16-20-9-5-6-10-21(20)23(27)25(16)15-22(26)24-19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,1,15H2,(H,24,26)
InChIKeyXVYMUVKAVZTXEI-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 51317122
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-(benzylamino)-3-chlorophenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 47084897
N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 170070351
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592135
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55854248
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide (CID 17419674) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide?
The InChIKey is XVYMUVKAVZTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-20-9-5-6-10-21(20)23(27)25(16)15-22(26)24-19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,1,15H2,(H,24,26).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 17419674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).