2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

C18H11ClFN5O — CID 109317340

IUPAC2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)n2)c1
InChIInChI=1S/C18H11ClFN5O/c19-14-9-13(4-5-15(14)20)24-18-22-7-6-16(25-18)17(26)23-12-3-1-2-11(8-12)10-21/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyVITXOAZVHLNDGA-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109317340) has the molecular formula C18H11ClFN5O and a molecular weight of 367.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109317340
Molecular FormulaC18H11ClFN5O
Molecular Weight367.77 g/mol
Exact Mass367.06
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)n2)c1
InChIInChI=1S/C18H11ClFN5O/c19-14-9-13(4-5-15(14)20)24-18-22-7-6-16(25-18)17(26)23-12-3-1-2-11(8-12)10-21/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyVITXOAZVHLNDGA-UHFFFAOYSA-N
XLogP4.14
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
2-(3-chloro-4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316133
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (CID 109317340) is 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)n2)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is VITXOAZVHLNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O/c19-14-9-13(4-5-15(14)20)24-18-22-7-6-16(25-18)17(26)23-12-3-1-2-11(8-12)10-21/h1-9H,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).