N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide

C13H13ClN4O3 — CID 66423760

IUPACN-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN4O3/c14-8-7-18(13(21)17-12(8)20)6-5-11(19)16-10-4-2-1-3-9(10)15/h1-4,7H,5-6,15H2,(H,16,19)(H,17,20,21)
InChIKeyLFNQBOOICYLZCB-UHFFFAOYSA-N
MW308.72 g/mol
LogP0.80
Rot. Bonds4

About N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide

N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 66423760) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.72 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID66423760
Molecular FormulaC13H13ClN4O3
Molecular Weight308.72 g/mol
Exact Mass308.07
IUPAC NameN-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN4O3/c14-8-7-18(13(21)17-12(8)20)6-5-11(19)16-10-4-2-1-3-9(10)15/h1-4,7H,5-6,15H2,(H,16,19)(H,17,20,21)
InChIKeyLFNQBOOICYLZCB-UHFFFAOYSA-N
XLogP0.80
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 66423392
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 63799556
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 66424777
N-(2-aminophenyl)-3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanamide
CID 80579397
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031878

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide (CID 66423760) is N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide is Nc1ccccc1NC(=O)CCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is LFNQBOOICYLZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-8-7-18(13(21)17-12(8)20)6-5-11(19)16-10-4-2-1-3-9(10)15/h1-4,7H,5-6,15H2,(H,16,19)(H,17,20,21).
What are the key properties of N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide?
N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 308.72 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66423760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).