4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide

C20H14ClN3O2 — CID 171537831

IUPAC4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3ccc(C#N)cc3Cl)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H14ClN3O2/c1-12-8-14(3-4-16(12)20(23)25)18-10-15(6-7-24-18)26-19-5-2-13(11-22)9-17(19)21/h2-10H,1H3,(H2,23,25)
InChIKeyCNWOTHWUXZXLQC-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.47
Rot. Bonds4

About 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide

4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide (PubChem CID 171537831) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide
PubChem CID171537831
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3ccc(C#N)cc3Cl)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H14ClN3O2/c1-12-8-14(3-4-16(12)20(23)25)18-10-15(6-7-24-18)26-19-5-2-13(11-22)9-17(19)21/h2-10H,1H3,(H2,23,25)
InChIKeyCNWOTHWUXZXLQC-UHFFFAOYSA-N
XLogP4.47
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide 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

4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide
CID 171537901
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537783
ethane;2-methyl-4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-pyridinyl]benzamide
CID 171537294
2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 171537835
4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793626
2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 63092790
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
CID 171537255
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide
CID 171537115

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide (CID 171537831) is 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(Oc3ccc(C#N)cc3Cl)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is CNWOTHWUXZXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-8-14(3-4-16(12)20(23)25)18-10-15(6-7-24-18)26-19-5-2-13(11-22)9-17(19)21/h2-10H,1H3,(H2,23,25).
What are the key properties of 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide?
4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 363.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 171537831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).