N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide

C13H11ClN4O — CID 114650291

IUPACN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
SMILESN#Cc1cccn1CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C13H11ClN4O/c14-11-4-3-9(6-12(11)16)17-13(19)8-18-5-1-2-10(18)7-15/h1-6H,8,16H2,(H,17,19)
InChIKeyJRPPGZGWJAFLOI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.23
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide

N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide (PubChem CID 114650291) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
PubChem CID114650291
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
SMILESN#Cc1cccn1CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C13H11ClN4O/c14-11-4-3-9(6-12(11)16)17-13(19)8-18-5-1-2-10(18)7-15/h1-6H,8,16H2,(H,17,19)
InChIKeyJRPPGZGWJAFLOI-UHFFFAOYSA-N
XLogP2.23
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650376
N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
CID 28786787
N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63557982
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652595
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide (CID 114650291) is N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide is N#Cc1cccn1CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The InChIKey is JRPPGZGWJAFLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-11-4-3-9(6-12(11)16)17-13(19)8-18-5-1-2-10(18)7-15/h1-6H,8,16H2,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide has a molecular weight of 274.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide is sourced from PubChem (CID 114650291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).