2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide

C16H17NO3 — CID 43508388

IUPAC2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-10-3-8-15(19)14(9-10)16(20)17-13-6-4-12(5-7-13)11(2)18/h3-9,11,18-19H,1-2H3,(H,17,20)
InChIKeySABMGRRUNONVMG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.01
Rot. Bonds3

About 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide

2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide (PubChem CID 43508388) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
PubChem CID43508388
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-10-3-8-15(19)14(9-10)16(20)17-13-6-4-12(5-7-13)11(2)18/h3-9,11,18-19H,1-2H3,(H,17,20)
InChIKeySABMGRRUNONVMG-UHFFFAOYSA-N
XLogP3.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 107724903
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
CID 39122388
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36556789
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide (CID 43508388) is 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2ccc(C(C)O)cc2)c1.
What is the InChIKey of 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide?
The InChIKey is SABMGRRUNONVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-3-8-15(19)14(9-10)16(20)17-13-6-4-12(5-7-13)11(2)18/h3-9,11,18-19H,1-2H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide?
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 43508388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).