2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide

C18H14ClFN4O2 — CID 109268468

IUPAC2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-2-12(19)8-15(16)24-18-21-9-11(10-22-18)17(25)23-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyFWFAHNDPNJSURX-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.27
Rot. Bonds5

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

2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268468) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109268468
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-2-12(19)8-15(16)24-18-21-9-11(10-22-18)17(25)23-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyFWFAHNDPNJSURX-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266859
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336903
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269933
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267230

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide (CID 109268468) is 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide is COc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is FWFAHNDPNJSURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-16-7-2-12(19)8-15(16)24-18-21-9-11(10-22-18)17(25)23-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).