1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

C12H17ClN2O3 — CID 111426617

IUPAC1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-11(16)7-15-12(17)14-6-9-3-2-4-10(13)5-9/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyHVNVWCULWFJSDK-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.15
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426617) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426617
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-11(16)7-15-12(17)14-6-9-3-2-4-10(13)5-9/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyHVNVWCULWFJSDK-UHFFFAOYSA-N
XLogP1.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624
1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426803
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
CID 110301541
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965
1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338040
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426617) is 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is HVNVWCULWFJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-8-11(16)7-15-12(17)14-6-9-3-2-4-10(13)5-9/h2-5,11,16H,6-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 272.73 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).