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

C13H15ClN4O2 — CID 80579065

IUPACN-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCn1ccn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1=O
InChIInChI=1S/C13H15ClN4O2/c1-17-6-7-18(13(17)20)5-4-12(19)16-9-2-3-10(14)11(15)8-9/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyBJVZBLUWLZKCGL-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.45
Rot. Bonds4

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

N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (PubChem CID 80579065) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
PubChem CID80579065
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCn1ccn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1=O
InChIInChI=1S/C13H15ClN4O2/c1-17-6-7-18(13(17)20)5-4-12(19)16-9-2-3-10(14)11(15)8-9/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyBJVZBLUWLZKCGL-UHFFFAOYSA-N
XLogP1.45
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (CID 80579065) is N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is Cn1ccn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1=O.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The InChIKey is BJVZBLUWLZKCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-17-6-7-18(13(17)20)5-4-12(19)16-9-2-3-10(14)11(15)8-9/h2-3,6-8H,4-5,15H2,1H3,(H,16,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide has a molecular weight of 294.74 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is sourced from PubChem (CID 80579065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).