1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea

C21H22ClN3O2 — CID 20951383

IUPAC1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-2-27-20-11-9-18(10-12-20)24-21(26)23-14-19-4-3-13-25(19)15-16-5-7-17(22)8-6-16/h3-13H,2,14-15H2,1H3,(H2,23,24,26)
InChIKeyOCNSATOKXRCAFO-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.91
Rot. Bonds7

About 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea

1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea (PubChem CID 20951383) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea
PubChem CID20951383
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-2-27-20-11-9-18(10-12-20)24-21(26)23-14-19-4-3-13-25(19)15-16-5-7-17(22)8-6-16/h3-13H,2,14-15H2,1H3,(H2,23,24,26)
InChIKeyOCNSATOKXRCAFO-UHFFFAOYSA-N
XLogP4.91
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea 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

1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 20951376
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methoxyphenyl)urea
CID 20951259
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-chlorophenyl)urea
CID 20950996
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea (CID 20951383) is 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is OCNSATOKXRCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-2-27-20-11-9-18(10-12-20)24-21(26)23-14-19-4-3-13-25(19)15-16-5-7-17(22)8-6-16/h3-13H,2,14-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea?
1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 383.88 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 20951383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).