3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide

C15H15NO3 — CID 103891536

IUPAC3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)9-16-15(19)12-6-13(17)8-14(18)7-12/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyOUKLWFKBYSKSNC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide

3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 103891536) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID103891536
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)9-16-15(19)12-6-13(17)8-14(18)7-12/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyOUKLWFKBYSKSNC-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide (CID 103891536) is 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is OUKLWFKBYSKSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)9-16-15(19)12-6-13(17)8-14(18)7-12/h2-8,17-18H,9H2,1H3,(H,16,19).
What are the key properties of 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide?
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 103891536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).