2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide

C16H17NO3 — CID 61223601

IUPAC2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCO)cc2)c1O
InChIInChI=1S/C16H17NO3/c1-11-3-2-4-14(15(11)19)16(20)17-13-7-5-12(6-8-13)9-10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyMSDHKZPIMWUYDU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.49
Rot. Bonds4

About 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide

2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide (PubChem CID 61223601) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
PubChem CID61223601
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCO)cc2)c1O
InChIInChI=1S/C16H17NO3/c1-11-3-2-4-14(15(11)19)16(20)17-13-7-5-12(6-8-13)9-10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyMSDHKZPIMWUYDU-UHFFFAOYSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide (CID 61223601) is 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CCO)cc2)c1O.
What is the InChIKey of 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide?
The InChIKey is MSDHKZPIMWUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-3-2-4-14(15(11)19)16(20)17-13-7-5-12(6-8-13)9-10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide?
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 61223601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).