1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea

C19H21ClN2O3 — CID 72924189

IUPAC1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1ccc2c(c1)COC2)N(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-17-5-2-14(3-6-17)11-22(8-1-9-23)19(24)21-18-7-4-15-12-25-13-16(15)10-18/h2-7,10,23H,1,8-9,11-13H2,(H,21,24)
InChIKeyGBKZJPZFGMHJNN-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.79
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea

1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea (PubChem CID 72924189) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea
PubChem CID72924189
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1ccc2c(c1)COC2)N(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-17-5-2-14(3-6-17)11-22(8-1-9-23)19(24)21-18-7-4-15-12-25-13-16(15)10-18/h2-7,10,23H,1,8-9,11-13H2,(H,21,24)
InChIKeyGBKZJPZFGMHJNN-UHFFFAOYSA-N
XLogP3.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
N-(2-aminophenyl)-4-[[2,3-dihydro-1H-inden-5-ylcarbamoyl(3-hydroxypropyl)amino]methyl]benzamide
CID 58000994
1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 126448790
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 72857964
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea
CID 15137699
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea (CID 72924189) is 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea is O=C(Nc1ccc2c(c1)COC2)N(CCCO)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea?
The InChIKey is GBKZJPZFGMHJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-17-5-2-14(3-6-17)11-22(8-1-9-23)19(24)21-18-7-4-15-12-25-13-16(15)10-18/h2-7,10,23H,1,8-9,11-13H2,(H,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea?
1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea has a molecular weight of 360.84 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 72924189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).