N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C18H16ClN3O3 — CID 40711261

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-11(12-5-4-6-13(19)9-12)20-16(23)10-22-18(25)15-8-3-2-7-14(15)17(24)21-22/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyCSFKVBWGCXIJDX-LLVKDONJSA-N
MW357.80 g/mol
LogP2.22
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 40711261) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID40711261
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-11(12-5-4-6-13(19)9-12)20-16(23)10-22-18(25)15-8-3-2-7-14(15)17(24)21-22/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyCSFKVBWGCXIJDX-LLVKDONJSA-N
XLogP2.22
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 18116311
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 17437467
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2078312
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7820097
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25334274

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 40711261) is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is CSFKVBWGCXIJDX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11(12-5-4-6-13(19)9-12)20-16(23)10-22-18(25)15-8-3-2-7-14(15)17(24)21-22/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 40711261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).