N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide

C16H15Cl2NO2 — CID 29051396

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C16H15Cl2NO2/c1-10-2-3-12(8-15(10)20)16(21)19-7-6-11-4-5-13(17)9-14(11)18/h2-5,8-9,20H,6-7H2,1H3,(H,19,21)
InChIKeyBCPWLPSBGQBLCZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide (PubChem CID 29051396) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
PubChem CID29051396
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C16H15Cl2NO2/c1-10-2-3-12(8-15(10)20)16(21)19-7-6-11-4-5-13(17)9-14(11)18/h2-5,8-9,20H,6-7H2,1H3,(H,19,21)
InChIKeyBCPWLPSBGQBLCZ-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4796120
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide (CID 29051396) is N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1O.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is BCPWLPSBGQBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10-2-3-12(8-15(10)20)16(21)19-7-6-11-4-5-13(17)9-14(11)18/h2-5,8-9,20H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 324.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 29051396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).