N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C18H13N3O3 — CID 18084163

IUPACN-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1
InChIInChI=1S/C18H13N3O3/c19-11-12-3-1-5-14(9-12)20-18(24)13-4-2-6-15(10-13)21-16(22)7-8-17(21)23/h1-6,9-10H,7-8H2,(H,20,24)
InChIKeyMPMHJSGOQHAGGX-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.46
Rot. Bonds3

About N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 18084163) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID18084163
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1
InChIInChI=1S/C18H13N3O3/c19-11-12-3-1-5-14(9-12)20-18(24)13-4-2-6-15(10-13)21-16(22)7-8-17(21)23/h1-6,9-10H,7-8H2,(H,20,24)
InChIKeyMPMHJSGOQHAGGX-UHFFFAOYSA-N
XLogP2.46
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
CID 126585620
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7941196
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 18084163) is N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is N#Cc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is MPMHJSGOQHAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c19-11-12-3-1-5-14(9-12)20-18(24)13-4-2-6-15(10-13)21-16(22)7-8-17(21)23/h1-6,9-10H,7-8H2,(H,20,24).
What are the key properties of N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 319.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 18084163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).