N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

C19H18ClN3O4 — CID 40671962

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-11-9-15(16(27-2)10-14(11)20)21-17(24)7-8-23-19(26)13-6-4-3-5-12(13)18(25)22-23/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWGCRRSCTYRUJNK-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.69
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (PubChem CID 40671962) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
PubChem CID40671962
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-11-9-15(16(27-2)10-14(11)20)21-17(24)7-8-23-19(26)13-6-4-3-5-12(13)18(25)22-23/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWGCRRSCTYRUJNK-UHFFFAOYSA-N
XLogP2.69
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclohexyl-4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (CID 40671962) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The InChIKey is WGCRRSCTYRUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11-9-15(16(27-2)10-14(11)20)21-17(24)7-8-23-19(26)13-6-4-3-5-12(13)18(25)22-23/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide has a molecular weight of 387.82 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is sourced from PubChem (CID 40671962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).