N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide

C20H13Cl2N3O2 — CID 58103248

IUPACN-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
SMILESN#CCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C20H13Cl2N3O2/c21-15-7-8-18(16(22)12-15)27-19-6-2-5-17(25-19)13-3-1-4-14(11-13)20(26)24-10-9-23/h1-8,11-12H,10H2,(H,24,26)
InChIKeySKMNFRJHGHADGL-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.10
Rot. Bonds5

About N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide

N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide (PubChem CID 58103248) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
PubChem CID58103248
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC NameN-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
SMILESN#CCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C20H13Cl2N3O2/c21-15-7-8-18(16(22)12-15)27-19-6-2-5-17(25-19)13-3-1-4-14(11-13)20(26)24-10-9-23/h1-8,11-12H,10H2,(H,24,26)
InChIKeySKMNFRJHGHADGL-UHFFFAOYSA-N
XLogP5.10
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
CID 58103338
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
CID 66857600
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
ethyl 3-[6-(2,4-dichlorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 66857681
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide?
The IUPAC name of N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide (CID 58103248) is N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide?
The canonical SMILES for N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide is N#CCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide?
The InChIKey is SKMNFRJHGHADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c21-15-7-8-18(16(22)12-15)27-19-6-2-5-17(25-19)13-3-1-4-14(11-13)20(26)24-10-9-23/h1-8,11-12H,10H2,(H,24,26).
What are the key properties of N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide?
N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide has a molecular weight of 398.25 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide is sourced from PubChem (CID 58103248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).