N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C13H11ClFN3O3 — CID 108955334

IUPACN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H11ClFN3O3/c1-7-4-11(18-21-7)17-13(20)6-12(19)16-8-2-3-10(15)9(14)5-8/h2-5H,6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyWSYAQGZQWKSFKU-UHFFFAOYSA-N
MW311.70 g/mol
LogP2.74
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108955334) has the molecular formula C13H11ClFN3O3 and a molecular weight of 311.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108955334
Molecular FormulaC13H11ClFN3O3
Molecular Weight311.70 g/mol
Exact Mass311.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H11ClFN3O3/c1-7-4-11(18-21-7)17-13(20)6-12(19)16-8-2-3-10(15)9(14)5-8/h2-5H,6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyWSYAQGZQWKSFKU-UHFFFAOYSA-N
XLogP2.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51178299
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943891

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108955334) is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)CC(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is WSYAQGZQWKSFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3/c1-7-4-11(18-21-7)17-13(20)6-12(19)16-8-2-3-10(15)9(14)5-8/h2-5H,6H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 311.70 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108955334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).