4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide

C17H18ClNO4 — CID 7324383

IUPAC4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccccc1OC[C@@H](O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-22-15-4-2-3-5-16(15)23-11-14(20)10-19-17(21)12-6-8-13(18)9-7-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyNCLXYFIKAYJLIO-AWEZNQCLSA-N
MW335.79 g/mol
LogP2.52
Rot. Bonds7

About 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide

4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide (PubChem CID 7324383) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
PubChem CID7324383
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccccc1OC[C@@H](O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-22-15-4-2-3-5-16(15)23-11-14(20)10-19-17(21)12-6-8-13(18)9-7-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyNCLXYFIKAYJLIO-AWEZNQCLSA-N
XLogP2.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide
CID 3885811
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 23317216
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide (CID 7324383) is 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide is COc1ccccc1OC[C@@H](O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide?
The InChIKey is NCLXYFIKAYJLIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-22-15-4-2-3-5-16(15)23-11-14(20)10-19-17(21)12-6-8-13(18)9-7-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide?
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide is sourced from PubChem (CID 7324383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).