N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide

C16H16ClNO2 — CID 27646537

IUPACN-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-2-7-15(19)14(10-11)16(20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeySVGNNPXHUQFXEL-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide

N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide (PubChem CID 27646537) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
PubChem CID27646537
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-2-7-15(19)14(10-11)16(20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeySVGNNPXHUQFXEL-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
2,5-dimethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974414
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771690
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide (CID 27646537) is N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is SVGNNPXHUQFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-2-7-15(19)14(10-11)16(20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 27646537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).