1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea

C19H20ClN3O3 — CID 18575249

IUPAC1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(C2=NCCC2)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-25-15-8-5-13(6-9-15)22-19(24)23(18-4-3-11-21-18)14-7-10-17(26-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOBTZTOAKPHGDQJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea

1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea (PubChem CID 18575249) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea
PubChem CID18575249
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(C2=NCCC2)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-25-15-8-5-13(6-9-15)22-19(24)23(18-4-3-11-21-18)14-7-10-17(26-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOBTZTOAKPHGDQJ-UHFFFAOYSA-N
XLogP4.59
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea (CID 18575249) is 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is OBTZTOAKPHGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-25-15-8-5-13(6-9-15)22-19(24)23(18-4-3-11-21-18)14-7-10-17(26-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea?
1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 373.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 18575249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).