carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide

C21H16ClFN2O3 — CID 163462679

IUPACcarbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2cncc(F)c2)c1)Nc1cccc(Cl)c1.O=C=O
InChIInChI=1S/C20H16ClFN2O.CO2/c21-17-5-2-6-19(11-17)24-20(25)8-7-14-3-1-4-15(9-14)16-10-18(22)13-23-12-16;2-1-3/h1-6,9-13H,7-8H2,(H,24,25);
InChIKeyBPXYYJDCSNGRSN-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.53
Rot. Bonds5

About carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide

carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide (PubChem CID 163462679) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Namecarbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide
PubChem CID163462679
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Namecarbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2cncc(F)c2)c1)Nc1cccc(Cl)c1.O=C=O
InChIInChI=1S/C20H16ClFN2O.CO2/c21-17-5-2-6-19(11-17)24-20(25)8-7-14-3-1-4-15(9-14)16-10-18(22)13-23-12-16;2-1-3/h1-6,9-13H,7-8H2,(H,24,25);
InChIKeyBPXYYJDCSNGRSN-UHFFFAOYSA-N
XLogP4.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide?
The IUPAC name of carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide (CID 163462679) is carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide.
What is the SMILES notation for carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide?
The canonical SMILES for carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide is O=C(CCc1cccc(-c2cncc(F)c2)c1)Nc1cccc(Cl)c1.O=C=O.
What is the InChIKey of carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide?
The InChIKey is BPXYYJDCSNGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O.CO2/c21-17-5-2-6-19(11-17)24-20(25)8-7-14-3-1-4-15(9-14)16-10-18(22)13-23-12-16;2-1-3/h1-6,9-13H,7-8H2,(H,24,25);.
What are the key properties of carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide?
carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide has a molecular weight of 398.82 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 163462679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).