N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide

C16H16ClNO2 — CID 60701286

IUPACN-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyGQUVYVADQUWUID-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide

N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide (PubChem CID 60701286) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
PubChem CID60701286
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2Cl)cc1O
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyGQUVYVADQUWUID-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24543962
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107025469
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide (CID 60701286) is N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccccc2Cl)cc1O.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is GQUVYVADQUWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-8-12(9-15(10)19)16(20)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 60701286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).