1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea

C18H20Cl2N2O3 — CID 47815544

IUPAC1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-25-15-6-4-14(5-7-15)21-18(24)22(9-2-10-23)12-13-3-8-16(19)17(20)11-13/h3-8,11,23H,2,9-10,12H2,1H3,(H,21,24)
InChIKeyMJLPHLIYKVVRRV-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.42
Rot. Bonds7

About 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea

1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea (PubChem CID 47815544) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
PubChem CID47815544
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-25-15-6-4-14(5-7-15)21-18(24)22(9-2-10-23)12-13-3-8-16(19)17(20)11-13/h3-8,11,23H,2,9-10,12H2,1H3,(H,21,24)
InChIKeyMJLPHLIYKVVRRV-UHFFFAOYSA-N
XLogP4.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 71655123
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
3-(4-fluorophenyl)-1-(3-hydroxypropyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 5014815
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
3-(4-bromophenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 42657018
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea (CID 47815544) is 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea?
The InChIKey is MJLPHLIYKVVRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-25-15-6-4-14(5-7-15)21-18(24)22(9-2-10-23)12-13-3-8-16(19)17(20)11-13/h3-8,11,23H,2,9-10,12H2,1H3,(H,21,24).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea?
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea has a molecular weight of 383.28 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 47815544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).