4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide

C17H18ClNO4 — CID 90613299

IUPAC4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4/c1-22-15-8-5-12(9-16(15)23-2)14(20)10-19-17(21)11-3-6-13(18)7-4-11/h3-9,14,20H,10H2,1-2H3,(H,19,21)
InChIKeyCMUKCVFKXZMBGW-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.82
Rot. Bonds6

About 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide

4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide (PubChem CID 90613299) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
PubChem CID90613299
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4/c1-22-15-8-5-12(9-16(15)23-2)14(20)10-19-17(21)11-3-6-13(18)7-4-11/h3-9,14,20H,10H2,1-2H3,(H,19,21)
InChIKeyCMUKCVFKXZMBGW-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-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613417
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide (CID 90613299) is 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide is COc1ccc(C(O)CNC(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The InChIKey is CMUKCVFKXZMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-22-15-8-5-12(9-16(15)23-2)14(20)10-19-17(21)11-3-6-13(18)7-4-11/h3-9,14,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide 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 4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 90613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).