N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide

C20H18N2O3 — CID 110745346

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H18N2O3/c23-19(15-5-9-18(10-6-15)22-11-1-2-12-22)21-17-7-3-16(4-8-17)20-24-13-14-25-20/h1-12,20H,13-14H2,(H,21,23)
InChIKeyXFYRURCKYKSIGR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110745346) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID110745346
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(C2OCCO2)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H18N2O3/c23-19(15-5-9-18(10-6-15)22-11-1-2-12-22)21-17-7-3-16(4-8-17)20-24-13-14-25-20/h1-12,20H,13-14H2,(H,21,23)
InChIKeyXFYRURCKYKSIGR-UHFFFAOYSA-N
XLogP3.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrrol-1-ylbenzamide
CID 42151409
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 66710123
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
CID 110732804
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide (CID 110745346) is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide is O=C(Nc1ccc(C2OCCO2)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XFYRURCKYKSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(15-5-9-18(10-6-15)22-11-1-2-12-22)21-17-7-3-16(4-8-17)20-24-13-14-25-20/h1-12,20H,13-14H2,(H,21,23).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110745346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).