N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide

C19H14ClN3O2 — CID 56583342

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C19H14ClN3O2/c20-15-7-8-16(17(11-15)23-9-3-4-10-23)22-19(24)13-25-18-6-2-1-5-14(18)12-21/h1-11H,13H2,(H,22,24)
InChIKeyFCKXLIYOEMSFJR-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.02
Rot. Bonds5

About N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 56583342) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide
PubChem CID56583342
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C19H14ClN3O2/c20-15-7-8-16(17(11-15)23-9-3-4-10-23)22-19(24)13-25-18-6-2-1-5-14(18)12-21/h1-11H,13H2,(H,22,24)
InChIKeyFCKXLIYOEMSFJR-UHFFFAOYSA-N
XLogP4.02
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
CID 39820178
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide (CID 56583342) is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is FCKXLIYOEMSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-7-8-16(17(11-15)23-9-3-4-10-23)22-19(24)13-25-18-6-2-1-5-14(18)12-21/h1-11H,13H2,(H,22,24).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 351.79 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 56583342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).