4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile

C13H12ClN3O — CID 100773756

IUPAC4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
SMILESCCn1c(C#N)cc(N)c1Oc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O/c1-2-17-9(8-15)7-11(16)13(17)18-12-6-4-3-5-10(12)14/h3-7H,2,16H2,1H3
InChIKeySTNNNFSHKFZIKS-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.41
Rot. Bonds3

About 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile

4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile (PubChem CID 100773756) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
PubChem CID100773756
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
SMILESCCn1c(C#N)cc(N)c1Oc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O/c1-2-17-9(8-15)7-11(16)13(17)18-12-6-4-3-5-10(12)14/h3-7H,2,16H2,1H3
InChIKeySTNNNFSHKFZIKS-UHFFFAOYSA-N
XLogP3.41
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile 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-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
CID 100773761
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-1-[(2,4-dichlorophenyl)methyl]-5-phenoxypyrrole-2-carbonitrile
CID 100773363
4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-1-benzyl-5-(3-chlorophenoxy)pyrrole-2-carbonitrile
CID 100773935
4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
CID 100774221
4-amino-1-benzyl-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 100772693
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
4-amino-1-ethyl-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 100773151
5-(2-chlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012101
4-amino-1-benzyl-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772785

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile (CID 100773756) is 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile is CCn1c(C#N)cc(N)c1Oc1ccccc1Cl.
What is the InChIKey of 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile?
The InChIKey is STNNNFSHKFZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-17-9(8-15)7-11(16)13(17)18-12-6-4-3-5-10(12)14/h3-7H,2,16H2,1H3.
What are the key properties of 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile?
4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile has a molecular weight of 261.71 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile is sourced from PubChem (CID 100773756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).