1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea

C16H19ClN2O3 — CID 57110169

IUPAC1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
SMILESCCCCc1ccc(NC(=O)NC2=CC(=O)OCC2)cc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-2-3-4-11-5-6-12(9-14(11)17)18-16(21)19-13-7-8-22-15(20)10-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,18,19,21)
InChIKeyKENWBLLOXJIYAD-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea

1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea (PubChem CID 57110169) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea.

Molecular Properties

Compound Name1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
PubChem CID57110169
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
SMILESCCCCc1ccc(NC(=O)NC2=CC(=O)OCC2)cc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-2-3-4-11-5-6-12(9-14(11)17)18-16(21)19-13-7-8-22-15(20)10-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,18,19,21)
InChIKeyKENWBLLOXJIYAD-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)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-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
CID 139933614
3-(4-butyl-3-chloroanilino)-2H-thiophen-5-one
CID 54002804
1-(4-chloro-3-ethylphenyl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
CID 139933631
4-butyl-3-chlorobenzoic acid
CID 90111981
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea
CID 18330655
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The IUPAC name of 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea (CID 57110169) is 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea.
What is the SMILES notation for 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The canonical SMILES for 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea is CCCCc1ccc(NC(=O)NC2=CC(=O)OCC2)cc1Cl.
What is the InChIKey of 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The InChIKey is KENWBLLOXJIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-2-3-4-11-5-6-12(9-14(11)17)18-16(21)19-13-7-8-22-15(20)10-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea has a molecular weight of 322.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea is sourced from PubChem (CID 57110169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).