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

C19H20Cl2N2O3 — CID 52821871

IUPAC3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(25)15-4-2-5-16(11-15)22-19(26)23(8-3-9-24)12-14-6-7-17(20)18(21)10-14/h2,4-7,10-11,24H,3,8-9,12H2,1H3,(H,22,26)
InChIKeyUZHLCALGOIWYBK-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.61
Rot. Bonds7

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

3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea (PubChem CID 52821871) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
PubChem CID52821871
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(25)15-4-2-5-16(11-15)22-19(26)23(8-3-9-24)12-14-6-7-17(20)18(21)10-14/h2,4-7,10-11,24H,3,8-9,12H2,1H3,(H,22,26)
InChIKeyUZHLCALGOIWYBK-UHFFFAOYSA-N
XLogP4.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
N-tert-butyl-3-[[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]amino]benzamide
CID 56527666
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
CID 1454656

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea (CID 52821871) is 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea is CC(=O)c1cccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The InChIKey is UZHLCALGOIWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-13(25)15-4-2-5-16(11-15)22-19(26)23(8-3-9-24)12-14-6-7-17(20)18(21)10-14/h2,4-7,10-11,24H,3,8-9,12H2,1H3,(H,22,26).
What are the key properties of 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea has a molecular weight of 395.29 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 52821871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).