N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide

C14H13NO2 — CID 175908622

IUPACN-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide
SMILES[2H]c1cc(CO)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-10-11-6-8-13(9-7-11)15-14(17)12-4-2-1-3-5-12/h1-9,16H,10H2,(H,15,17)/i8D
InChIKeyKDKGQLQFUUQUFT-BNEYPBHNSA-N
MW228.27 g/mol
LogP2.43
Rot. Bonds3

About N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide

N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide (PubChem CID 175908622) has the molecular formula C14H13NO2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide
PubChem CID175908622
Molecular FormulaC14H13NO2
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC NameN-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide
SMILES[2H]c1cc(CO)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-10-11-6-8-13(9-7-11)15-14(17)12-4-2-1-3-5-12/h1-9,16H,10H2,(H,15,17)/i8D
InChIKeyKDKGQLQFUUQUFT-BNEYPBHNSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N-(4-ethylphenyl)benzamide
CID 774063
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
CID 22634902
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
(4-benzamidophenyl)carbamic acid
CID 18543096
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
N-(4-prop-2-enylphenyl)benzamide
CID 67934091
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyridine-4-carboxamide
CID 10193154

Frequently Asked Questions

What is the IUPAC name of N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide (CID 175908622) is N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide is [2H]c1cc(CO)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide?
The InChIKey is KDKGQLQFUUQUFT-BNEYPBHNSA-N. The full InChI is InChI=1S/C14H13NO2/c16-10-11-6-8-13(9-7-11)15-14(17)12-4-2-1-3-5-12/h1-9,16H,10H2,(H,15,17)/i8D.
What are the key properties of N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide?
N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide has a molecular weight of 228.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 175908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).