2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide

C14H13N3O2 — CID 106384989

IUPAC2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C14H13N3O2/c15-7-11-1-3-13(4-2-11)19-10-14(18)17-9-12-5-6-16-8-12/h1-6,8,16H,9-10H2,(H,17,18)
InChIKeyCKMGIZOPRJXAQR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106384989) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106384989
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C14H13N3O2/c15-7-11-1-3-13(4-2-11)19-10-14(18)17-9-12-5-6-16-8-12/h1-6,8,16H,9-10H2,(H,17,18)
InChIKeyCKMGIZOPRJXAQR-UHFFFAOYSA-N
XLogP1.58
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106384989) is 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide is N#Cc1ccc(OCC(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is CKMGIZOPRJXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-7-11-1-3-13(4-2-11)19-10-14(18)17-9-12-5-6-16-8-12/h1-6,8,16H,9-10H2,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106384989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).