[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine

C18H17AtN2O2 — CID 143483937

IUPAC[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
SMILESO=C(N[At])c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H17AtN2O2/c19-20-17(22)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22)
InChIKeyQFRWEGJKFMVABE-UHFFFAOYSA-N
MW503.35 g/mol
LogP2.78
Rot. Bonds3

About [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine

[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine (PubChem CID 143483937) has the molecular formula C18H17AtN2O2 and a molecular weight of 503.35 g/mol. Its IUPAC name is [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine.

Molecular Properties

Compound Name[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
PubChem CID143483937
Molecular FormulaC18H17AtN2O2
Molecular Weight503.35 g/mol
Exact Mass503.12
IUPAC Name[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
SMILESO=C(N[At])c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H17AtN2O2/c19-20-17(22)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22)
InChIKeyQFRWEGJKFMVABE-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine 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

3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
CID 75488391
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide
CID 109052027
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899

Frequently Asked Questions

What is the IUPAC name of [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine?
The IUPAC name of [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine (CID 143483937) is [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine.
What is the SMILES notation for [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine?
The canonical SMILES for [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine is O=C(N[At])c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine?
The InChIKey is QFRWEGJKFMVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17AtN2O2/c19-20-17(22)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22).
What are the key properties of [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine?
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine has a molecular weight of 503.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine is sourced from PubChem (CID 143483937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).