N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H17ClN4O3 — CID 9117000

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17ClN4O3/c1-11-14(20)7-4-8-15(11)22-18(26)10-21-17(25)9-16-12-5-2-3-6-13(12)19(27)24-23-16/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyWSJLNCIJJOOKMW-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9117000) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9117000
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17ClN4O3/c1-11-14(20)7-4-8-15(11)22-18(26)10-21-17(25)9-16-12-5-2-3-6-13(12)19(27)24-23-16/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyWSJLNCIJJOOKMW-UHFFFAOYSA-N
XLogP2.18
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9117000) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is WSJLNCIJJOOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-14(20)7-4-8-15(11)22-18(26)10-21-17(25)9-16-12-5-2-3-6-13(12)19(27)24-23-16/h2-8H,9-10H2,1H3,(H,21,25)(H,22,26)(H,24,27).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 384.82 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).