1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea

C14H13ClN2O2 — CID 4169533

IUPAC1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1CO
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-6-12(8-11)16-14(19)17-13-7-2-1-4-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyDBSOYBMOXPXLFU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea

1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea (PubChem CID 4169533) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
PubChem CID4169533
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1CO
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-6-12(8-11)16-14(19)17-13-7-2-1-4-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyDBSOYBMOXPXLFU-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-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea (CID 4169533) is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1ccccc1CO.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The InChIKey is DBSOYBMOXPXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-3-6-12(8-11)16-14(19)17-13-7-2-1-4-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
1-(3-chlorophenyl)-3-[2-(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-[2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 4169533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).