1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea

C13H14ClN3O2 — CID 139933631

IUPAC1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
SMILESCCc1cc(NC(=O)NC2=CC(=O)NC2)ccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-2-8-5-9(3-4-11(8)14)16-13(19)17-10-6-12(18)15-7-10/h3-6H,2,7H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyRYZHCPGXWOQDIA-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea

1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea (PubChem CID 139933631) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
PubChem CID139933631
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
SMILESCCc1cc(NC(=O)NC2=CC(=O)NC2)ccc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-2-8-5-9(3-4-11(8)14)16-13(19)17-10-6-12(18)15-7-10/h3-6H,2,7H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyRYZHCPGXWOQDIA-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethylanilino)-1,2-dihydropyrrol-5-one
CID 70117840
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
CID 57110169
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
CID 139933614
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
1,3-bis[4-chloro-3-(pentafluoro-λ6-sulfanyl)phenyl]urea
CID 134177482
1-[5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]-2-ethylphenyl]-3-(3,4-dichlorophenyl)urea
CID 171980838

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The IUPAC name of 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea (CID 139933631) is 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea.
What is the SMILES notation for 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The canonical SMILES for 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea is CCc1cc(NC(=O)NC2=CC(=O)NC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
The InChIKey is RYZHCPGXWOQDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-2-8-5-9(3-4-11(8)14)16-13(19)17-10-6-12(18)15-7-10/h3-6H,2,7H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea?
1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea has a molecular weight of 279.73 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea is sourced from PubChem (CID 139933631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).