3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide

C18H19ClFNO3 — CID 126440716

IUPAC3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
SMILESCCOC[C@H](O)CNC(=O)c1cccc(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H19ClFNO3/c1-2-24-11-15(22)10-21-18(23)13-5-3-4-12(8-13)16-9-14(19)6-7-17(16)20/h3-9,15,22H,2,10-11H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyIPBVROHRIIWQMR-OAHLLOKOSA-N
MW351.81 g/mol
LogP3.27
Rot. Bonds7

About 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide

3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide (PubChem CID 126440716) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
PubChem CID126440716
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
SMILESCCOC[C@H](O)CNC(=O)c1cccc(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H19ClFNO3/c1-2-24-11-15(22)10-21-18(23)13-5-3-4-12(8-13)16-9-14(19)6-7-17(16)20/h3-9,15,22H,2,10-11H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyIPBVROHRIIWQMR-OAHLLOKOSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
CID 125171716
N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
CID 134231528
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125445269
4-(3-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)benzamide
CID 131907534
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide (CID 126440716) is 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide is CCOC[C@H](O)CNC(=O)c1cccc(-c2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide?
The InChIKey is IPBVROHRIIWQMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-2-24-11-15(22)10-21-18(23)13-5-3-4-12(8-13)16-9-14(19)6-7-17(16)20/h3-9,15,22H,2,10-11H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide?
3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide has a molecular weight of 351.81 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide is sourced from PubChem (CID 126440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).