4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C18H19ClFNO2 — CID 125441906

IUPAC4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-11(2)17(10-22)21-18(23)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)19/h3-9,11,17,22H,10H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyYVEXTYVCUQNLNU-QGZVFWFLSA-N
MW335.81 g/mol
LogP3.89
Rot. Bonds5

About 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 125441906) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID125441906
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-11(2)17(10-22)21-18(23)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)19/h3-9,11,17,22H,10H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyYVEXTYVCUQNLNU-QGZVFWFLSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 125441906) is 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is YVEXTYVCUQNLNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-11(2)17(10-22)21-18(23)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)19/h3-9,11,17,22H,10H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 125441906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).