2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide

C22H18N2O3 — CID 6619677

IUPAC2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C22H18N2O3/c1-27-18-12-10-17(11-13-18)24-14-15-6-5-9-19(20(15)22(24)26)21(25)23-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyMDBKASBEZAAMCE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide

2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide (PubChem CID 6619677) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
PubChem CID6619677
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C22H18N2O3/c1-27-18-12-10-17(11-13-18)24-14-15-6-5-9-19(20(15)22(24)26)21(25)23-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyMDBKASBEZAAMCE-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46255708
N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 122175076
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
2-(4-methoxyphenyl)-7-propan-2-yl-3H-isoindol-1-one
CID 167034371
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoic acid
CID 7618910
2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid
CID 4908239
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoate
CID 7618909
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
4-methoxy-N-[2-methoxy-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678072
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide (CID 6619677) is 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide is COc1ccc(N2Cc3cccc(C(=O)Nc4ccccc4)c3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide?
The InChIKey is MDBKASBEZAAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-18-12-10-17(11-13-18)24-14-15-6-5-9-19(20(15)22(24)26)21(25)23-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide?
2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 6619677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).