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

C14H13ClN4O — CID 114650376

IUPACN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)n1cccc1C#N
InChIInChI=1S/C14H13ClN4O/c1-9(19-6-2-3-11(19)8-16)14(20)18-10-4-5-12(15)13(17)7-10/h2-7,9H,17H2,1H3,(H,18,20)
InChIKeyRECLVAXEWNTWLF-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.80
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide (PubChem CID 114650376) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
PubChem CID114650376
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)n1cccc1C#N
InChIInChI=1S/C14H13ClN4O/c1-9(19-6-2-3-11(19)8-16)14(20)18-10-4-5-12(15)13(17)7-10/h2-7,9H,17H2,1H3,(H,18,20)
InChIKeyRECLVAXEWNTWLF-UHFFFAOYSA-N
XLogP2.80
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650260
1-(3-oxobutan-2-yl)pyrrole-2-carbonitrile
CID 114651433
N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
CID 79669975
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128703
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide (CID 114650376) is N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)c(N)c1)n1cccc1C#N.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The InChIKey is RECLVAXEWNTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9(19-6-2-3-11(19)8-16)14(20)18-10-4-5-12(15)13(17)7-10/h2-7,9H,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide has a molecular weight of 288.74 g/mol, XLogP of 2.80, 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)propanamide is sourced from PubChem (CID 114650376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).