1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea

C15H22Cl3N3O — CID 3793691

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
SMILESCC(C)N(CCNC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H22Cl3N3O/c1-9(2)21(10(3)4)6-5-19-15(22)20-14-8-12(17)11(16)7-13(14)18/h7-10H,5-6H2,1-4H3,(H2,19,20,22)
InChIKeyMJTHNCDIZWXDFO-UHFFFAOYSA-N
MW366.72 g/mol
LogP4.89
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea

1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea (PubChem CID 3793691) has the molecular formula C15H22Cl3N3O and a molecular weight of 366.72 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
PubChem CID3793691
Molecular FormulaC15H22Cl3N3O
Molecular Weight366.72 g/mol
Exact Mass365.08
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
SMILESCC(C)N(CCNC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H22Cl3N3O/c1-9(2)21(10(3)4)6-5-19-15(22)20-14-8-12(17)11(16)7-13(14)18/h7-10H,5-6H2,1-4H3,(H2,19,20,22)
InChIKeyMJTHNCDIZWXDFO-UHFFFAOYSA-N
XLogP4.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
CID 119026702
4-chloro-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]benzoic acid
CID 62635155
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118768916
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
2-hydroxy-3-[(2,4,5-trichlorophenyl)carbamoylamino]propanoic acid
CID 66166112
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861
5-amino-3-chloro-2-[2-[di(propan-2-yl)amino]ethylamino]benzoic acid
CID 107192613

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea (CID 3793691) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea is CC(C)N(CCNC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is MJTHNCDIZWXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl3N3O/c1-9(2)21(10(3)4)6-5-19-15(22)20-14-8-12(17)11(16)7-13(14)18/h7-10H,5-6H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 366.72 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 3793691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).