2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C17H10Cl2F2N4O — CID 109318714

IUPAC2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-4-5-13(10(19)8-9)23-17-22-7-6-14(24-17)16(26)25-15-11(20)2-1-3-12(15)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyCWWBSNPPAOQAFR-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109318714) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109318714
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-4-5-13(10(19)8-9)23-17-22-7-6-14(24-17)16(26)25-15-11(20)2-1-3-12(15)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyCWWBSNPPAOQAFR-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313125
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316487
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 109318714) is 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is CWWBSNPPAOQAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-9-4-5-13(10(19)8-9)23-17-22-7-6-14(24-17)16(26)25-15-11(20)2-1-3-12(15)21/h1-8H,(H,25,26)(H,22,23,24).
What are the key properties of 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).