N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide

C16H15Cl2NO3 — CID 111578607

IUPACN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3/c1-9-2-11(6-14(20)3-9)16(22)19-8-15(21)10-4-12(17)7-13(18)5-10/h2-7,15,20-21H,8H2,1H3,(H,19,22)
InChIKeyQENAPGHXVBILHN-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide (PubChem CID 111578607) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
PubChem CID111578607
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3/c1-9-2-11(6-14(20)3-9)16(22)19-8-15(21)10-4-12(17)7-13(18)5-10/h2-7,15,20-21H,8H2,1H3,(H,19,22)
InChIKeyQENAPGHXVBILHN-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide (CID 111578607) is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide is Cc1cc(O)cc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The InChIKey is QENAPGHXVBILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-9-2-11(6-14(20)3-9)16(22)19-8-15(21)10-4-12(17)7-13(18)5-10/h2-7,15,20-21H,8H2,1H3,(H,19,22).
What are the key properties of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide has a molecular weight of 340.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide is sourced from PubChem (CID 111578607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).