1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea

C16H17ClN2O3 — CID 99841208

IUPAC1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2cccc(CO)c2)ccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-22-15-8-13(5-6-14(15)17)19-16(21)18-9-11-3-2-4-12(7-11)10-20/h2-8,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyRTMGZCGBHBWBOQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea

1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 99841208) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
PubChem CID99841208
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2cccc(CO)c2)ccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-22-15-8-13(5-6-14(15)17)19-16(21)18-9-11-3-2-4-12(7-11)10-20/h2-8,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyRTMGZCGBHBWBOQ-UHFFFAOYSA-N
XLogP3.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110647
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
2-[[(4-chloro-3-methoxyphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 107622487
1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea
CID 121137192
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (CID 99841208) is 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea is COc1cc(NC(=O)NCc2cccc(CO)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is RTMGZCGBHBWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-22-15-8-13(5-6-14(15)17)19-16(21)18-9-11-3-2-4-12(7-11)10-20/h2-8,20H,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 99841208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).