3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea

C14H13ClN2O2 — CID 28740219

IUPAC3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O2/c1-17(12-6-8-13(18)9-7-12)14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,1H3,(H,16,19)
InChIKeyMRGZDNIDHYGMBL-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.71
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea

3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea (PubChem CID 28740219) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
PubChem CID28740219
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O2/c1-17(12-6-8-13(18)9-7-12)14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,1H3,(H,16,19)
InChIKeyMRGZDNIDHYGMBL-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 108895520
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108908499
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
CID 110874529
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 7039411
3-(4-chlorophenyl)-1-methyl-1-(trichloromethylsulfanyl)urea
CID 21449176
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea (CID 28740219) is 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea is CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The InChIKey is MRGZDNIDHYGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(12-6-8-13(18)9-7-12)14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,1H3,(H,16,19).
What are the key properties of 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea?
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea has a molecular weight of 276.72 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 28740219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).