2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide

C19H15ClFN5O2 — CID 109269223

IUPAC2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15ClFN5O2/c1-11(27)24-13-2-4-14(5-3-13)26-19-22-9-12(10-23-19)18(28)25-15-6-7-17(21)16(20)8-15/h2-10H,1H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyOCKHEFYNHMLSIO-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide

2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109269223) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109269223
Molecular FormulaC19H15ClFN5O2
Molecular Weight399.81 g/mol
Exact Mass399.09
IUPAC Name2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15ClFN5O2/c1-11(27)24-13-2-4-14(5-3-13)26-19-22-9-12(10-23-19)18(28)25-15-6-7-17(21)16(20)8-15/h2-10H,1H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyOCKHEFYNHMLSIO-UHFFFAOYSA-N
XLogP4.22
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide (CID 109269223) is 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(Nc2ncc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is OCKHEFYNHMLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O2/c1-11(27)24-13-2-4-14(5-3-13)26-19-22-9-12(10-23-19)18(28)25-15-6-7-17(21)16(20)8-15/h2-10H,1H3,(H,24,27)(H,25,28)(H,22,23,26).
What are the key properties of 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide?
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 399.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).