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

C18H11ClFN5O — CID 109317339

IUPAC2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H11ClFN5O/c19-13-9-12(5-6-14(13)20)23-18-22-8-7-16(25-18)17(26)24-15-4-2-1-3-11(15)10-21/h1-9H,(H,24,26)(H,22,23,25)
InChIKeyIEFMUMGYRPBVPH-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.14
Rot. Bonds4

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

2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109317339) has the molecular formula C18H11ClFN5O and a molecular weight of 367.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109317339
Molecular FormulaC18H11ClFN5O
Molecular Weight367.77 g/mol
Exact Mass367.06
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H11ClFN5O/c19-13-9-12(5-6-14(13)20)23-18-22-8-7-16(25-18)17(26)24-15-4-2-1-3-11(15)10-21/h1-9H,(H,24,26)(H,22,23,25)
InChIKeyIEFMUMGYRPBVPH-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

N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
2-(3-chloro-4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316133
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305444
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide (CID 109317339) is 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide is N#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is IEFMUMGYRPBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O/c19-13-9-12(5-6-14(13)20)23-18-22-8-7-16(25-18)17(26)24-15-4-2-1-3-11(15)10-21/h1-9H,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-(2-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-(2-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).