2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide

C18H19ClFNO2 — CID 97086616

IUPAC2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
SMILESC[C@@H](O)C[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNO2/c1-12(22)10-14(13-6-3-2-4-7-13)11-21-18(23)17-15(19)8-5-9-16(17)20/h2-9,12,14,22H,10-11H2,1H3,(H,21,23)/t12-,14-/m1/s1
InChIKeyDRUOEKBSTAPNEO-TZMCWYRMSA-N
MW335.81 g/mol
LogP3.76
Rot. Bonds6

About 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide

2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide (PubChem CID 97086616) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
PubChem CID97086616
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
SMILESC[C@@H](O)C[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNO2/c1-12(22)10-14(13-6-3-2-4-7-13)11-21-18(23)17-15(19)8-5-9-16(17)20/h2-9,12,14,22H,10-11H2,1H3,(H,21,23)/t12-,14-/m1/s1
InChIKeyDRUOEKBSTAPNEO-TZMCWYRMSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
CID 110027851
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066850
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide (CID 97086616) is 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide is C[C@@H](O)C[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide?
The InChIKey is DRUOEKBSTAPNEO-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12(22)10-14(13-6-3-2-4-7-13)11-21-18(23)17-15(19)8-5-9-16(17)20/h2-9,12,14,22H,10-11H2,1H3,(H,21,23)/t12-,14-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide?
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide is sourced from PubChem (CID 97086616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).