2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide

C13H13ClN4O — CID 62141548

IUPAC2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1nnc(Cl)c2ccccc12)NC1CC1
InChIInChI=1S/C13H13ClN4O/c14-12-9-3-1-2-4-10(9)13(18-17-12)15-7-11(19)16-8-5-6-8/h1-4,8H,5-7H2,(H,15,18)(H,16,19)
InChIKeyNWVUTOFFMNAMQJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.97
Rot. Bonds4

About 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide

2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide (PubChem CID 62141548) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
PubChem CID62141548
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1nnc(Cl)c2ccccc12)NC1CC1
InChIInChI=1S/C13H13ClN4O/c14-12-9-3-1-2-4-10(9)13(18-17-12)15-7-11(19)16-8-5-6-8/h1-4,8H,5-7H2,(H,15,18)(H,16,19)
InChIKeyNWVUTOFFMNAMQJ-UHFFFAOYSA-N
XLogP1.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide (CID 62141548) is 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide is O=C(CNc1nnc(Cl)c2ccccc12)NC1CC1.
What is the InChIKey of 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide?
The InChIKey is NWVUTOFFMNAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-12-9-3-1-2-4-10(9)13(18-17-12)15-7-11(19)16-8-5-6-8/h1-4,8H,5-7H2,(H,15,18)(H,16,19).
What are the key properties of 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide?
2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide has a molecular weight of 276.73 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 62141548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).