2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide

C17H14ClN3O3 — CID 7626394

IUPAC2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O3/c18-11-5-7-12(8-6-11)24-10-16(22)19-9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9-10H2,(H,19,22)(H,21,23)
InChIKeyYCVSRBKMNSTSPT-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.27
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (PubChem CID 7626394) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
PubChem CID7626394
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O3/c18-11-5-7-12(8-6-11)24-10-16(22)19-9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9-10H2,(H,19,22)(H,21,23)
InChIKeyYCVSRBKMNSTSPT-UHFFFAOYSA-N
XLogP2.27
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
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
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (CID 7626394) is 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The InChIKey is YCVSRBKMNSTSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-11-5-7-12(8-6-11)24-10-16(22)19-9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9-10H2,(H,19,22)(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 7626394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).