3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide

C22H18Cl3N3O3 — CID 55764904

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl3N3O3/c1-13(29)27-19(14-6-8-15(23)9-7-14)11-21(30)28-18-4-2-3-5-20(18)31-22-17(25)10-16(24)12-26-22/h2-10,12,19H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyQFCGVEXPCWCOCI-UHFFFAOYSA-N
MW478.76 g/mol
LogP6.04
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide (PubChem CID 55764904) has the molecular formula C22H18Cl3N3O3 and a molecular weight of 478.76 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
PubChem CID55764904
Molecular FormulaC22H18Cl3N3O3
Molecular Weight478.76 g/mol
Exact Mass477.04
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl3N3O3/c1-13(29)27-19(14-6-8-15(23)9-7-14)11-21(30)28-18-4-2-3-5-20(18)31-22-17(25)10-16(24)12-26-22/h2-10,12,19H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyQFCGVEXPCWCOCI-UHFFFAOYSA-N
XLogP6.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)propanamide
CID 42962669
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55727529

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide (CID 55764904) is 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide is CC(=O)NC(CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide?
The InChIKey is QFCGVEXPCWCOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N3O3/c1-13(29)27-19(14-6-8-15(23)9-7-14)11-21(30)28-18-4-2-3-5-20(18)31-22-17(25)10-16(24)12-26-22/h2-10,12,19H,11H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide has a molecular weight of 478.76 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide is sourced from PubChem (CID 55764904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).