1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

C12H16Cl2N2O3 — CID 111426624

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-19-7-10(17)6-16-12(18)15-5-8-2-3-9(13)4-11(8)14/h2-4,10,17H,5-7H2,1H3,(H2,15,16,18)
InChIKeyUSEGTEOOIKOTPO-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.80
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426624) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426624
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-19-7-10(17)6-16-12(18)15-5-8-2-3-9(13)4-11(8)14/h2-4,10,17H,5-7H2,1H3,(H2,15,16,18)
InChIKeyUSEGTEOOIKOTPO-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
1-(3-bromo-4-chlorophenyl)-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97054291
1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 97054292
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426803
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426788
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426624) is 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is USEGTEOOIKOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c1-19-7-10(17)6-16-12(18)15-5-8-2-3-9(13)4-11(8)14/h2-4,10,17H,5-7H2,1H3,(H2,15,16,18).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 307.18 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).