2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide

C14H17ClN4O — CID 66130816

IUPAC2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C14H17ClN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-5-3-10(15)4-6-11/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyXFRZXLXHVRVMPA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.59
Rot. Bonds6

About 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide

2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide (PubChem CID 66130816) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
PubChem CID66130816
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C14H17ClN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-5-3-10(15)4-6-11/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyXFRZXLXHVRVMPA-UHFFFAOYSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide (CID 66130816) is 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide is CCCn1cncc1C(Nc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide?
The InChIKey is XFRZXLXHVRVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-5-3-10(15)4-6-11/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20).
What are the key properties of 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide?
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide is sourced from PubChem (CID 66130816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).