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

C15H15ClN2O2 — CID 63312020

IUPAC1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CO)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-5-2-6-14(8-13)18-15(20)17-9-11-3-1-4-12(7-11)10-19/h1-8,19H,9-10H2,(H2,17,18,20)
InChIKeyRLIVRGODSWCXBU-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.15
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 63312020) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
PubChem CID63312020
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CO)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-5-2-6-14(8-13)18-15(20)17-9-11-3-1-4-12(7-11)10-19/h1-8,19H,9-10H2,(H2,17,18,20)
InChIKeyRLIVRGODSWCXBU-UHFFFAOYSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 99841208
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 110775115
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (CID 63312020) is 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1cccc(CO)c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is RLIVRGODSWCXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-5-2-6-14(8-13)18-15(20)17-9-11-3-1-4-12(7-11)10-19/h1-8,19H,9-10H2,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 290.75 g/mol, XLogP of 3.15, 4 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]methyl]urea is sourced from PubChem (CID 63312020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).