4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide

C18H12ClN3O2 — CID 3427067

IUPAC4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23)
InChIKeyLSVRUZLXELSLPF-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.94
Rot. Bonds2

About 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide

4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide (PubChem CID 3427067) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
PubChem CID3427067
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23)
InChIKeyLSVRUZLXELSLPF-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide (CID 3427067) is 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide is O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The InChIKey is LSVRUZLXELSLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23).
What are the key properties of 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide has a molecular weight of 337.77 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 3427067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).