N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide

C32H26N4O4 — CID 146208985

IUPACN-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C32H26N4O4/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37)
InChIKeyNNTRXSLZWNOMHE-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.40
Rot. Bonds8

About N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide

N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146208985) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146208985
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C32H26N4O4/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37)
InChIKeyNNTRXSLZWNOMHE-UHFFFAOYSA-N
XLogP5.40
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide (CID 146208985) is N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide is COc1cccc(C(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is NNTRXSLZWNOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c1-40-25-9-5-7-22(18-25)28(14-15-36-31(38)26-10-2-3-11-27(26)32(36)39)34-30(37)23-8-4-6-20(16-23)21-12-13-29-24(17-21)19-33-35-29/h2-13,16-19,28H,14-15H2,1H3,(H,33,35)(H,34,37).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 530.58 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).