N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide

C14H17ClN4O — CID 115356830

IUPACN-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)17-11(20)8-16-13-10-7-5-4-6-9(10)12(15)18-19-13/h4-7H,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyMCYFEODJHXSQSE-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.61
Rot. Bonds3

About N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide

N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide (PubChem CID 115356830) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide
PubChem CID115356830
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)17-11(20)8-16-13-10-7-5-4-6-9(10)12(15)18-19-13/h4-7H,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyMCYFEODJHXSQSE-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide (CID 115356830) is N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nnc(Cl)c2ccccc12.
What is the InChIKey of N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide?
The InChIKey is MCYFEODJHXSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-14(2,3)17-11(20)8-16-13-10-7-5-4-6-9(10)12(15)18-19-13/h4-7H,8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide?
N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide is sourced from PubChem (CID 115356830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).