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

C18H18ClFN2O3 — CID 173118647

IUPAC3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClFN2O3/c19-14-9-13(6-7-15(14)20)12-4-1-11(2-5-12)3-8-17(24)22-10-16(23)18(21)25/h1-2,4-7,9,16,23H,3,8,10H2,(H2,21,25)(H,22,24)
InChIKeyXXVACPRWCKBANV-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.04
Rot. Bonds7

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

3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide (PubChem CID 173118647) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
PubChem CID173118647
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClFN2O3/c19-14-9-13(6-7-15(14)20)12-4-1-11(2-5-12)3-8-17(24)22-10-16(23)18(21)25/h1-2,4-7,9,16,23H,3,8,10H2,(H2,21,25)(H,22,24)
InChIKeyXXVACPRWCKBANV-UHFFFAOYSA-N
XLogP2.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide
CID 68868150
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177198
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
3-[[2-(2-chlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261274
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide (CID 173118647) is 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide is NC(=O)C(O)CNC(=O)CCc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide?
The InChIKey is XXVACPRWCKBANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c19-14-9-13(6-7-15(14)20)12-4-1-11(2-5-12)3-8-17(24)22-10-16(23)18(21)25/h1-2,4-7,9,16,23H,3,8,10H2,(H2,21,25)(H,22,24).
What are the key properties of 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide?
3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide has a molecular weight of 364.80 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide is sourced from PubChem (CID 173118647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).