1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea

C19H22Cl2N2O3 — CID 60569568

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
SMILESCOCCCOc1ccccc1NC(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O3/c1-13(15-9-8-14(20)12-16(15)21)22-19(24)23-17-6-3-4-7-18(17)26-11-5-10-25-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyADCRBBKSJBBWCP-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.29
Rot. Bonds8

About 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea

1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea (PubChem CID 60569568) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
PubChem CID60569568
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
SMILESCOCCCOc1ccccc1NC(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O3/c1-13(15-9-8-14(20)12-16(15)21)22-19(24)23-17-6-3-4-7-18(17)26-11-5-10-25-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyADCRBBKSJBBWCP-UHFFFAOYSA-N
XLogP5.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
CID 17181566
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
2-(2,4-dichlorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 42997775
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea (CID 60569568) is 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea is COCCCOc1ccccc1NC(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea?
The InChIKey is ADCRBBKSJBBWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-13(15-9-8-14(20)12-16(15)21)22-19(24)23-17-6-3-4-7-18(17)26-11-5-10-25-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea?
1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea has a molecular weight of 397.30 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea is sourced from PubChem (CID 60569568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).