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

C16H15Cl2NO3 — CID 111427450

IUPACN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3/c1-22-14-4-2-3-10(7-14)16(21)19-9-15(20)11-5-12(17)8-13(18)6-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeySFIUYJKFYYJLRR-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.47
Rot. Bonds5

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

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide (PubChem CID 111427450) 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-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
PubChem CID111427450
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3/c1-22-14-4-2-3-10(7-14)16(21)19-9-15(20)11-5-12(17)8-13(18)6-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeySFIUYJKFYYJLRR-UHFFFAOYSA-N
XLogP3.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide (CID 111427450) is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide?
The InChIKey is SFIUYJKFYYJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-22-14-4-2-3-10(7-14)16(21)19-9-15(20)11-5-12(17)8-13(18)6-11/h2-8,15,20H,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide?
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide has a molecular weight of 340.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 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-methoxybenzamide is sourced from PubChem (CID 111427450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).