4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide

C17H15ClFNO3 — CID 99699618

IUPAC4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H15ClFNO3/c1-10(22)11-2-4-12(5-3-11)17(23)20-16(9-21)13-6-7-14(18)15(19)8-13/h2-8,16,21H,9H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyCCPTZQNMAAXDKB-MRXNPFEDSA-N
MW335.76 g/mol
LogP3.15
Rot. Bonds5

About 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide

4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 99699618) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID99699618
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H15ClFNO3/c1-10(22)11-2-4-12(5-3-11)17(23)20-16(9-21)13-6-7-14(18)15(19)8-13/h2-8,16,21H,9H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyCCPTZQNMAAXDKB-MRXNPFEDSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 97260195
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97259860
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97337496
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 163208050
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide (CID 99699618) is 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide is CC(=O)c1ccc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is CCPTZQNMAAXDKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-10(22)11-2-4-12(5-3-11)17(23)20-16(9-21)13-6-7-14(18)15(19)8-13/h2-8,16,21H,9H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide?
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 335.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 99699618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).