2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide

C16H12ClFN4O3 — CID 16841348

IUPAC2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
SMILESCn1c(=O)c2c(NC(=O)c3c(F)cccc3Cl)ccnc2n(C)c1=O
InChIInChI=1S/C16H12ClFN4O3/c1-21-13-12(15(24)22(2)16(21)25)10(6-7-19-13)20-14(23)11-8(17)4-3-5-9(11)18/h3-7H,1-2H3,(H,19,20,23)
InChIKeySYNPPDYPWOCLMD-UHFFFAOYSA-N
MW362.75 g/mol
LogP1.68
Rot. Bonds2

About 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide

2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide (PubChem CID 16841348) has the molecular formula C16H12ClFN4O3 and a molecular weight of 362.75 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
PubChem CID16841348
Molecular FormulaC16H12ClFN4O3
Molecular Weight362.75 g/mol
Exact Mass362.06
IUPAC Name2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
SMILESCn1c(=O)c2c(NC(=O)c3c(F)cccc3Cl)ccnc2n(C)c1=O
InChIInChI=1S/C16H12ClFN4O3/c1-21-13-12(15(24)22(2)16(21)25)10(6-7-19-13)20-14(23)11-8(17)4-3-5-9(11)18/h3-7H,1-2H3,(H,19,20,23)
InChIKeySYNPPDYPWOCLMD-UHFFFAOYSA-N
XLogP1.68
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
2-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16841390
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-methyl-3-nitrobenzamide
CID 16841353
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 18585434
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
2-chloro-6-fluoro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 110735250
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954
2-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-fluorobenzohydrazide
CID 2145322
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide (CID 16841348) is 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide is Cn1c(=O)c2c(NC(=O)c3c(F)cccc3Cl)ccnc2n(C)c1=O.
What is the InChIKey of 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide?
The InChIKey is SYNPPDYPWOCLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3/c1-21-13-12(15(24)22(2)16(21)25)10(6-7-19-13)20-14(23)11-8(17)4-3-5-9(11)18/h3-7H,1-2H3,(H,19,20,23).
What are the key properties of 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide?
2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide has a molecular weight of 362.75 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide is sourced from PubChem (CID 16841348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).