N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

C17H11Cl2FN4O — CID 109268578

IUPACN-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-5-12(19)7-15(6-11)23-16(25)10-8-21-17(22-9-10)24-14-3-1-13(20)2-4-14/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyMYLLCSBNCFDUFH-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268578) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268578
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-5-12(19)7-15(6-11)23-16(25)10-8-21-17(22-9-10)24-14-3-1-13(20)2-4-14/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyMYLLCSBNCFDUFH-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (CID 109268578) is N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is MYLLCSBNCFDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-11-5-12(19)7-15(6-11)23-16(25)10-8-21-17(22-9-10)24-14-3-1-13(20)2-4-14/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).