1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea

C15H22Cl2N2O — CID 102916204

IUPAC1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1cc(Cl)ccc1Cl)C(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-9(2)12(10(3)4)8-18-15(20)19-14-7-11(16)5-6-13(14)17/h5-7,9-10,12H,8H2,1-4H3,(H2,18,19,20)
InChIKeyBGTUGABBGBVPEO-UHFFFAOYSA-N
MW317.26 g/mol
LogP5.04
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea

1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea (PubChem CID 102916204) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
PubChem CID102916204
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1cc(Cl)ccc1Cl)C(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-9(2)12(10(3)4)8-18-15(20)19-14-7-11(16)5-6-13(14)17/h5-7,9-10,12H,8H2,1-4H3,(H2,18,19,20)
InChIKeyBGTUGABBGBVPEO-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)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

2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219353
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea (CID 102916204) is 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea is CC(C)C(CNC(=O)Nc1cc(Cl)ccc1Cl)C(C)C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
The InChIKey is BGTUGABBGBVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-9(2)12(10(3)4)8-18-15(20)19-14-7-11(16)5-6-13(14)17/h5-7,9-10,12H,8H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea?
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea has a molecular weight of 317.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea is sourced from PubChem (CID 102916204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).