N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide

C20H14ClNO3 — CID 141145423

IUPACN-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14ClNO3/c21-16-5-1-3-13(9-16)14-4-2-6-17(10-14)22-20(23)15-7-8-18-19(11-15)25-12-24-18/h1-11H,12H2,(H,22,23)
InChIKeyGZYDOIJWNNCZDO-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.99
Rot. Bonds3

About N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 141145423) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID141145423
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14ClNO3/c21-16-5-1-3-13(9-16)14-4-2-6-17(10-14)22-20(23)15-7-8-18-19(11-15)25-12-24-18/h1-11H,12H2,(H,22,23)
InChIKeyGZYDOIJWNNCZDO-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-chlorophenyl)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

N-[2-(3-chloroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26578694
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
N-[3-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 647324
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42737773

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 141145423) is N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(-c2cccc(Cl)c2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GZYDOIJWNNCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-16-5-1-3-13(9-16)14-4-2-6-17(10-14)22-20(23)15-7-8-18-19(11-15)25-12-24-18/h1-11H,12H2,(H,22,23).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 141145423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).