3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide

C15H15NO2 — CID 172740220

IUPAC3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C15H15NO2/c1-16-15(18)14-4-2-3-13(9-14)12-7-5-11(10-17)6-8-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyIZOSUGRRTOCQIE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.21
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide

3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide (PubChem CID 172740220) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
PubChem CID172740220
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C15H15NO2/c1-16-15(18)14-4-2-3-13(9-14)12-7-5-11(10-17)6-8-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyIZOSUGRRTOCQIE-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
3-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006839
3-(4-formamidophenyl)-N-methylbenzamide
CID 168653692
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
3-ethyl-N-methylbenzamide
CID 59115297
3-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-N-methylbenzamide
CID 168538478
ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
CID 143405821
N'-methyl-3-phenylbenzohydrazide
CID 142295291
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide (CID 172740220) is 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc(CO)cc2)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide?
The InChIKey is IZOSUGRRTOCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-15(18)14-4-2-3-13(9-14)12-7-5-11(10-17)6-8-12/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide?
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide has a molecular weight of 241.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 172740220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).