N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide

C15H14ClN3O2 — CID 75376412

IUPACN-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-19(15(20)13-8-11(9-17)10-18-13)6-7-21-14-5-3-2-4-12(14)16/h2-5,8,10,18H,6-7H2,1H3
InChIKeyPVSFUPQBDYMBQX-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 75376412) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID75376412
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-19(15(20)13-8-11(9-17)10-18-13)6-7-21-14-5-3-2-4-12(14)16/h2-5,8,10,18H,6-7H2,1H3
InChIKeyPVSFUPQBDYMBQX-UHFFFAOYSA-N
XLogP2.69
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18120203

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide (CID 75376412) is N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1cc(C#N)c[nH]1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is PVSFUPQBDYMBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(15(20)13-8-11(9-17)10-18-13)6-7-21-14-5-3-2-4-12(14)16/h2-5,8,10,18H,6-7H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75376412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).