N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide

C16H16ClNO2 — CID 114304843

IUPACN-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(C)Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-14-6-4-3-5-13(14)11(2)17/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyXNYJSAFRAILYPL-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.25
Rot. Bonds3

About N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide

N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 114304843) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
PubChem CID114304843
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(C)Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-14-6-4-3-5-13(14)11(2)17/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyXNYJSAFRAILYPL-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
3-chloro-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 82879237
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
N-[2-(1-chloroethyl)phenyl]-4-(dimethylamino)benzamide
CID 114304830
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114304802
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide (CID 114304843) is N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(C)Cl)cc1O.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is XNYJSAFRAILYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-14-6-4-3-5-13(14)11(2)17/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide?
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 114304843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).