1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea

C17H19ClN2O3 — CID 111103684

IUPAC1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O3/c1-23-16-14(18)8-5-9-15(16)20-17(22)19-11-13(21)10-12-6-3-2-4-7-12/h2-9,13,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyWLUJLFLOPPQGCA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.07
Rot. Bonds6

About 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea

1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 111103684) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID111103684
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O3/c1-23-16-14(18)8-5-9-15(16)20-17(22)19-11-13(21)10-12-6-3-2-4-7-12/h2-9,13,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyWLUJLFLOPPQGCA-UHFFFAOYSA-N
XLogP3.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102696
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea (CID 111103684) is 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea is COc1c(Cl)cccc1NC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is WLUJLFLOPPQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-23-16-14(18)8-5-9-15(16)20-17(22)19-11-13(21)10-12-6-3-2-4-7-12/h2-9,13,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 334.80 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111103684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).