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

C14H14ClN3O — CID 100773761

IUPAC4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1Oc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-2-7-18-10(9-16)8-12(17)14(18)19-13-6-4-3-5-11(13)15/h3-6,8H,2,7,17H2,1H3
InChIKeyLDWYPJCXNQQYTP-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.80
Rot. Bonds4

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

4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile (PubChem CID 100773761) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
PubChem CID100773761
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1Oc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-2-7-18-10(9-16)8-12(17)14(18)19-13-6-4-3-5-11(13)15/h3-6,8H,2,7,17H2,1H3
InChIKeyLDWYPJCXNQQYTP-UHFFFAOYSA-N
XLogP3.80
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
CID 100773756
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
CID 100772841
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
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-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-butyl-5-chloropyrrole-2-carbonitrile
CID 100775495
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
CID 100774221

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile (CID 100773761) is 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile is CCCn1c(C#N)cc(N)c1Oc1ccccc1Cl.
What is the InChIKey of 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile?
The InChIKey is LDWYPJCXNQQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-7-18-10(9-16)8-12(17)14(18)19-13-6-4-3-5-11(13)15/h3-6,8H,2,7,17H2,1H3.
What are the key properties of 4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile?
4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 3.80, 4 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-propylpyrrole-2-carbonitrile is sourced from PubChem (CID 100773761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).