N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide

C18H15Cl2N3O2 — CID 38550234

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H15Cl2N3O2/c1-10(12-8-7-11(19)9-15(12)20)23(2)18(25)16-13-5-3-4-6-14(13)17(24)22-21-16/h3-10H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyHMUXWFMGRLLMPD-JTQLQIEISA-N
MW376.24 g/mol
LogP4.06
Rot. Bonds3

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 38550234) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID38550234
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H15Cl2N3O2/c1-10(12-8-7-11(19)9-15(12)20)23(2)18(25)16-13-5-3-4-6-14(13)17(24)22-21-16/h3-10H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyHMUXWFMGRLLMPD-JTQLQIEISA-N
XLogP4.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
CID 27848904
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 37494055
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 52671402
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 46588611
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95045611
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907375

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (CID 38550234) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HMUXWFMGRLLMPD-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-10(12-8-7-11(19)9-15(12)20)23(2)18(25)16-13-5-3-4-6-14(13)17(24)22-21-16/h3-10H,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 38550234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).