2-(hydroxymethyl)-N-methylbenzamide

C9H11NO2 — CID 4147605

IUPAC2-(hydroxymethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1CO
InChIInChI=1S/C9H11NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyBFJCVRGMNCURHB-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.54
Rot. Bonds2

About 2-(hydroxymethyl)-N-methylbenzamide

2-(hydroxymethyl)-N-methylbenzamide (PubChem CID 4147605) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methylbenzamide
PubChem CID4147605
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(hydroxymethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1CO
InChIInChI=1S/C9H11NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyBFJCVRGMNCURHB-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxymethyl-benzoic acid hydrazide
CID 313973
2-[(Hydroxymethyl)carbamoyl]benzoic acid
CID 23820659
2-[(4-Phenylbutan-2-yl)carbamoyl]benzoic acid
CID 3606549
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
2-{[(Methylsulfinyl)methyl]carbamoyl}benzoic acid
CID 138394773
2-{[(Methylsulfonyl)methyl]carbamoyl}benzoic acid
CID 138394774
PaAMSO3H
CID 139594819
PaAMOM
CID 139596581
2-(Methylsulfanylmethylcarbamoyl)benzoic acid
CID 139597069
2-{[(2-Hydroxy-2-phenylethyl)amino]carbonyl}benzoic acid
CID 2812763
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methylbenzamide?
The IUPAC name of 2-(hydroxymethyl)-N-methylbenzamide (CID 4147605) is 2-(hydroxymethyl)-N-methylbenzamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methylbenzamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methylbenzamide is CNC(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-methylbenzamide?
The InChIKey is BFJCVRGMNCURHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12).
What are the key properties of 2-(hydroxymethyl)-N-methylbenzamide?
2-(hydroxymethyl)-N-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methylbenzamide is sourced from PubChem (CID 4147605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).