3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

C22H18ClN3O2 — CID 55763808

IUPAC3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c1-15-13-18(28-22-17(14-24)6-4-12-25-22)9-10-20(15)26-21(27)11-8-16-5-2-3-7-19(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H,26,27)
InChIKeyHWOYIHVLDDZCHB-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.28
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (PubChem CID 55763808) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
PubChem CID55763808
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c1-15-13-18(28-22-17(14-24)6-4-12-25-22)9-10-20(15)26-21(27)11-8-16-5-2-3-7-19(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H,26,27)
InChIKeyHWOYIHVLDDZCHB-UHFFFAOYSA-N
XLogP5.28
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 46485355
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504
2-chloro-N-[3-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55763846
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763746
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 56514342
N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55930783
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764036
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428401
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (CID 55763808) is 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?
The InChIKey is HWOYIHVLDDZCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-15-13-18(28-22-17(14-24)6-4-12-25-22)9-10-20(15)26-21(27)11-8-16-5-2-3-7-19(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H,26,27).
What are the key properties of 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide has a molecular weight of 391.86 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is sourced from PubChem (CID 55763808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).