3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen

C19H22ClFN2O2 — CID 157436333

IUPAC3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen
SMILESCC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F.[H][H]
InChIInChI=1S/C19H20ClFN2O2.H2/c1-2-15(23-11-10-16(22)24)13-8-9-14(20)17(18(13)21)19(25)12-6-4-3-5-7-12;/h3-9,15,23H,2,10-11H2,1H3,(H2,22,24);1H/t15-;/m1./s1
InChIKeyBRDMJTKXGCDJJR-XFULWGLBSA-N
MW364.85 g/mol
LogP3.87
Rot. Bonds8

About 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen

3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen (PubChem CID 157436333) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen
PubChem CID157436333
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen
SMILESCC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F.[H][H]
InChIInChI=1S/C19H20ClFN2O2.H2/c1-2-15(23-11-10-16(22)24)13-8-9-14(20)17(18(13)21)19(25)12-6-4-3-5-7-12;/h3-9,15,23H,2,10-11H2,1H3,(H2,22,24);1H/t15-;/m1./s1
InChIKeyBRDMJTKXGCDJJR-XFULWGLBSA-N
XLogP3.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen?
The IUPAC name of 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen (CID 157436333) is 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen.
What is the SMILES notation for 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen?
The canonical SMILES for 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen is CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F.[H][H].
What is the InChIKey of 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen?
The InChIKey is BRDMJTKXGCDJJR-XFULWGLBSA-N. The full InChI is InChI=1S/C19H20ClFN2O2.H2/c1-2-15(23-11-10-16(22)24)13-8-9-14(20)17(18(13)21)19(25)12-6-4-3-5-7-12;/h3-9,15,23H,2,10-11H2,1H3,(H2,22,24);1H/t15-;/m1./s1.
What are the key properties of 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen?
3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen has a molecular weight of 364.85 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-benzoyl-4-chloro-2-fluorophenyl)propyl]amino]propanamide;molecular hydrogen is sourced from PubChem (CID 157436333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).