4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide

C16H17NO2 — CID 134067704

IUPAC4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO2/c1-12-3-2-4-14(9-12)10-17-16(19)15-7-5-13(11-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyOHQZRXVLGGKKSG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds4

About 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide

4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 134067704) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
PubChem CID134067704
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO2/c1-12-3-2-4-14(9-12)10-17-16(19)15-7-5-13(11-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyOHQZRXVLGGKKSG-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide (CID 134067704) is 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(CO)cc2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is OHQZRXVLGGKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-3-2-4-14(9-12)10-17-16(19)15-7-5-13(11-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide?
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 134067704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).