1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea

C14H13ClN2O2 — CID 60676894

IUPAC1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C14H13ClN2O2/c15-11-4-2-6-13(8-11)17-14(19)16-12-5-1-3-10(7-12)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyATHVYOFKDUOUSU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea

1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea (PubChem CID 60676894) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
PubChem CID60676894
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C14H13ClN2O2/c15-11-4-2-6-13(8-11)17-14(19)16-12-5-1-3-10(7-12)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyATHVYOFKDUOUSU-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea (CID 60676894) is 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1cccc(CO)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The InChIKey is ATHVYOFKDUOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-4-2-6-13(8-11)17-14(19)16-12-5-1-3-10(7-12)9-18/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea has a molecular weight of 276.72 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 60676894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).