(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

C12H12ClN3O2 — CID 7626374

IUPAC(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12ClN3O2/c1-7(13)11(17)14-6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)/t7-/m1/s1
InChIKeyUZQYYBVQBLLEJZ-SSDOTTSWSA-N
MW265.70 g/mol
LogP1.17
Rot. Bonds3

About (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (PubChem CID 7626374) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
PubChem CID7626374
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12ClN3O2/c1-7(13)11(17)14-6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)/t7-/m1/s1
InChIKeyUZQYYBVQBLLEJZ-SSDOTTSWSA-N
XLogP1.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 95045989
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
CID 7185885
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (CID 7626374) is (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is C[C@@H](Cl)C(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The InChIKey is UZQYYBVQBLLEJZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7(13)11(17)14-6-10-8-4-2-3-5-9(8)12(18)16-15-10/h2-5,7H,6H2,1H3,(H,14,17)(H,16,18)/t7-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide has a molecular weight of 265.70 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is sourced from PubChem (CID 7626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).