1-butyl-3-(2,5-dichlorophenyl)-1-propylurea

C14H20Cl2N2O — CID 108886146

IUPAC1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-5-9-18(8-4-2)14(19)17-13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyWKKCWGTYMMMFIL-UHFFFAOYSA-N
MW303.23 g/mol
LogP5.04
Rot. Bonds6

About 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea

1-butyl-3-(2,5-dichlorophenyl)-1-propylurea (PubChem CID 108886146) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea.

Molecular Properties

Compound Name1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
PubChem CID108886146
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-5-9-18(8-4-2)14(19)17-13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyWKKCWGTYMMMFIL-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.23
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
3-[2-chloro-5-[2-chloro-1-[4-chloro-3-(dipropylcarbamoylamino)phenyl]ethenyl]phenyl]-1,1-dipropylurea
CID 10816843
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
1-(3-bromopropyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 106441565
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea?
The IUPAC name of 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea (CID 108886146) is 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea.
What is the SMILES notation for 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea?
The canonical SMILES for 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea is CCCCN(CCC)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea?
The InChIKey is WKKCWGTYMMMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-5-9-18(8-4-2)14(19)17-13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea?
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea has a molecular weight of 303.23 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,5-dichlorophenyl)-1-propylurea is sourced from PubChem (CID 108886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).