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

C16H12ClN3O2 — CID 7185897

IUPAC2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c17-13-8-4-3-7-12(13)15(21)18-9-14-10-5-1-2-6-11(10)16(22)20-19-14/h1-8H,9H2,(H,18,21)(H,20,22)
InChIKeyNTLZFGUZGRJMKX-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.51
Rot. Bonds3

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

2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide (PubChem CID 7185897) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
PubChem CID7185897
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c17-13-8-4-3-7-12(13)15(21)18-9-14-10-5-1-2-6-11(10)16(22)20-19-14/h1-8H,9H2,(H,18,21)(H,20,22)
InChIKeyNTLZFGUZGRJMKX-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
CID 121048410
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 18583495
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide (CID 7185897) is 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide is O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The InChIKey is NTLZFGUZGRJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-13-8-4-3-7-12(13)15(21)18-9-14-10-5-1-2-6-11(10)16(22)20-19-14/h1-8H,9H2,(H,18,21)(H,20,22).
What are the key properties of 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide has a molecular weight of 313.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 7185897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).