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

C18H17ClN4O — CID 59726031

IUPAC4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCC(C)Nc1nncc2cc(-c3cc(C(N)=O)ccc3Cl)ccc12
InChIInChI=1S/C18H17ClN4O/c1-10(2)22-18-14-5-3-11(7-13(14)9-21-23-18)15-8-12(17(20)24)4-6-16(15)19/h3-10H,1-2H3,(H2,20,24)(H,22,23)
InChIKeyHHCPIGPRKPTJRO-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.87
Rot. Bonds4

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

4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (PubChem CID 59726031) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
PubChem CID59726031
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCC(C)Nc1nncc2cc(-c3cc(C(N)=O)ccc3Cl)ccc12
InChIInChI=1S/C18H17ClN4O/c1-10(2)22-18-14-5-3-11(7-13(14)9-21-23-18)15-8-12(17(20)24)4-6-16(15)19/h3-10H,1-2H3,(H2,20,24)(H,22,23)
InChIKeyHHCPIGPRKPTJRO-UHFFFAOYSA-N
XLogP3.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24793280
CID 24793280
CID 44402867
CID 44402867
CID 154873539
CID 154873539
CID 24947402
CID 24947402
CID 24947403
CID 24947403
CID 24947404
CID 24947404
CID 24947777
CID 24947777
CID 24947778
CID 24947778
CID 24947779
CID 24947779
CID 58447215
CID 58447215
CID 58447256
CID 58447256
CID 58447293
CID 58447293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The IUPAC name of 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (CID 59726031) is 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The canonical SMILES for 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is CC(C)Nc1nncc2cc(-c3cc(C(N)=O)ccc3Cl)ccc12.
What is the InChIKey of 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The InChIKey is HHCPIGPRKPTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-10(2)22-18-14-5-3-11(7-13(14)9-21-23-18)15-8-12(17(20)24)4-6-16(15)19/h3-10H,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide has a molecular weight of 340.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is sourced from PubChem (CID 59726031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).