1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea

C13H18Cl2N2O2 — CID 111566614

IUPAC1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-9(8-18)17-13(19)16-6-2-3-10-4-5-11(14)7-12(10)15/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,16,17,19)
InChIKeyCEECVADZQFORMD-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.61
Rot. Bonds6

About 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea

1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111566614) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111566614
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-9(8-18)17-13(19)16-6-2-3-10-4-5-11(14)7-12(10)15/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,16,17,19)
InChIKeyCEECVADZQFORMD-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111720307
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea (CID 111566614) is 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is CEECVADZQFORMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-9(8-18)17-13(19)16-6-2-3-10-4-5-11(14)7-12(10)15/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 305.20 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111566614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).