2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide

C15H13ClFNO2 — CID 68868150

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-11(5-6-14(13)17)9-1-3-10(4-2-9)12(8-19)15(18)20/h1-7,12,19H,8H2,(H2,18,20)
InChIKeyMBEIYBLYORRVLC-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide

2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide (PubChem CID 68868150) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide
PubChem CID68868150
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-11(5-6-14(13)17)9-1-3-10(4-2-9)12(8-19)15(18)20/h1-7,12,19H,8H2,(H2,18,20)
InChIKeyMBEIYBLYORRVLC-UHFFFAOYSA-N
XLogP2.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
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N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
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N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
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2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130642918
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
5-(3,4-dichlorophenyl)-2-fluorobenzamide
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1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide (CID 68868150) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide is NC(=O)C(CO)c1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide?
The InChIKey is MBEIYBLYORRVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-7-11(5-6-14(13)17)9-1-3-10(4-2-9)12(8-19)15(18)20/h1-7,12,19H,8H2,(H2,18,20).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide has a molecular weight of 293.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide is sourced from PubChem (CID 68868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).