7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C17H14ClN3O4 — CID 55716894

IUPAC7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C17H14ClN3O4/c18-13-6-10(7-14-15(13)25-9-24-14)16(22)20-11-2-1-3-12(8-11)21-5-4-19-17(21)23/h1-3,6-8H,4-5,9H2,(H,19,23)(H,20,22)
InChIKeyLMWRGFAGMWEFNZ-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.85
Rot. Bonds3

About 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55716894) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55716894
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C17H14ClN3O4/c18-13-6-10(7-14-15(13)25-9-24-14)16(22)20-11-2-1-3-12(8-11)21-5-4-19-17(21)23/h1-3,6-8H,4-5,9H2,(H,19,23)(H,20,22)
InChIKeyLMWRGFAGMWEFNZ-UHFFFAOYSA-N
XLogP2.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide 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

4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
N-[3-(azepan-1-ylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide
CID 39755188
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-(furan-3-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 75392486
7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55767444
3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 55778485
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 136577207
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 55716894) is 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LMWRGFAGMWEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-13-6-10(7-14-15(13)25-9-24-14)16(22)20-11-2-1-3-12(8-11)21-5-4-19-17(21)23/h1-3,6-8H,4-5,9H2,(H,19,23)(H,20,22).
What are the key properties of 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55716894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).