1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea

C17H18Cl2N2O — CID 51062904

IUPAC1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
SMILESCCCCN(C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-3-11-21(14-7-5-4-6-8-14)17(22)20-16-10-9-13(18)12-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)
InChIKeyVELYYMMFAHVHIC-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.83
Rot. Bonds5

About 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea

1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea (PubChem CID 51062904) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea.

Molecular Properties

Compound Name1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
PubChem CID51062904
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
SMILESCCCCN(C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-3-11-21(14-7-5-4-6-8-14)17(22)20-16-10-9-13(18)12-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)
InChIKeyVELYYMMFAHVHIC-UHFFFAOYSA-N
XLogP5.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
1-butyl-3-(2-methyl-4-nitrophenyl)-1-phenylurea
CID 4191612
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828936
4-[butyl(naphthalen-1-ylcarbamoyl)amino]benzoic acid
CID 20787975

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea?
The IUPAC name of 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea (CID 51062904) is 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea.
What is the SMILES notation for 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea?
The canonical SMILES for 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea is CCCCN(C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea?
The InChIKey is VELYYMMFAHVHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-3-11-21(14-7-5-4-6-8-14)17(22)20-16-10-9-13(18)12-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22).
What are the key properties of 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea?
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea has a molecular weight of 337.25 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea is sourced from PubChem (CID 51062904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).