N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide

C17H18ClNO4 — CID 47022575

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4/c1-22-14-7-12(8-15(9-14)23-2)17(21)19-10-16(20)11-3-5-13(18)6-4-11/h3-9,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyXNPAXCPGIYSOCU-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide (PubChem CID 47022575) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
PubChem CID47022575
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4/c1-22-14-7-12(8-15(9-14)23-2)17(21)19-10-16(20)11-3-5-13(18)6-4-11/h3-9,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyXNPAXCPGIYSOCU-UHFFFAOYSA-N
XLogP2.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide (CID 47022575) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide?
The InChIKey is XNPAXCPGIYSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-22-14-7-12(8-15(9-14)23-2)17(21)19-10-16(20)11-3-5-13(18)6-4-11/h3-9,16,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide has a molecular weight of 335.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 47022575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).