4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide

C21H23ClN4O — CID 67020508

IUPAC4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(-c2ccc3c(NC(C)C)nncc3c2)c1
InChIInChI=1S/C21H23ClN4O/c1-12(2)24-20-17-7-5-14(9-16(17)11-23-26-20)18-10-15(6-8-19(18)22)21(27)25-13(3)4/h5-13H,1-4H3,(H,24,26)(H,25,27)
InChIKeyRHYQHHWINDHPAO-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.91
Rot. Bonds5

About 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide

4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (PubChem CID 67020508) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
PubChem CID67020508
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(-c2ccc3c(NC(C)C)nncc3c2)c1
InChIInChI=1S/C21H23ClN4O/c1-12(2)24-20-17-7-5-14(9-16(17)11-23-26-20)18-10-15(6-8-19(18)22)21(27)25-13(3)4/h5-13H,1-4H3,(H,24,26)(H,25,27)
InChIKeyRHYQHHWINDHPAO-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The IUPAC name of 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (CID 67020508) is 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The canonical SMILES for 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is CC(C)NC(=O)c1ccc(Cl)c(-c2ccc3c(NC(C)C)nncc3c2)c1.
What is the InChIKey of 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The InChIKey is RHYQHHWINDHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-12(2)24-20-17-7-5-14(9-16(17)11-23-26-20)18-10-15(6-8-19(18)22)21(27)25-13(3)4/h5-13H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide has a molecular weight of 382.90 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is sourced from PubChem (CID 67020508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).