N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C22H16Cl2N4O2 — CID 55727529

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N4O2/c23-16-11-18(24)22(25-13-16)30-20-9-5-4-8-19(20)27-21(29)10-15-12-26-28(14-15)17-6-2-1-3-7-17/h1-9,11-14H,10H2,(H,27,29)
InChIKeyQVLIQSJKINDUEI-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.55
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 55727529) has the molecular formula C22H16Cl2N4O2 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID55727529
Molecular FormulaC22H16Cl2N4O2
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N4O2/c23-16-11-18(24)22(25-13-16)30-20-9-5-4-8-19(20)27-21(29)10-15-12-26-28(14-15)17-6-2-1-3-7-17/h1-9,11-14H,10H2,(H,27,29)
InChIKeyQVLIQSJKINDUEI-UHFFFAOYSA-N
XLogP5.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55764173
N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614506
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 112827759
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614530
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621818
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
3-acetamido-3-(4-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]propanamide
CID 55764904
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55764817

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 55727529) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is QVLIQSJKINDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2/c23-16-11-18(24)22(25-13-16)30-20-9-5-4-8-19(20)27-21(29)10-15-12-26-28(14-15)17-6-2-1-3-7-17/h1-9,11-14H,10H2,(H,27,29).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 439.30 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 55727529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).