N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide

C8H7ClFN3O — CID 165134210

IUPACN-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(F)c(Cl)n1)C1CC1
InChIInChI=1S/C8H7ClFN3O/c9-6-5(10)3-11-8(12-6)13-7(14)4-1-2-4/h3-4H,1-2H2,(H,11,12,13,14)
InChIKeyXHYQJSPKHRTSCZ-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.62
Rot. Bonds2

About N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide

N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide (PubChem CID 165134210) has the molecular formula C8H7ClFN3O and a molecular weight of 215.61 g/mol. Its IUPAC name is N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
PubChem CID165134210
Molecular FormulaC8H7ClFN3O
Molecular Weight215.61 g/mol
Exact Mass215.03
IUPAC NameN-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(F)c(Cl)n1)C1CC1
InChIInChI=1S/C8H7ClFN3O/c9-6-5(10)3-11-8(12-6)13-7(14)4-1-2-4/h3-4H,1-2H2,(H,11,12,13,14)
InChIKeyXHYQJSPKHRTSCZ-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
CID 177347100
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 146408614
ethane;N-(7-fluoro-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 170960568

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide (CID 165134210) is N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide is O=C(Nc1ncc(F)c(Cl)n1)C1CC1.
What is the InChIKey of N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide?
The InChIKey is XHYQJSPKHRTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3O/c9-6-5(10)3-11-8(12-6)13-7(14)4-1-2-4/h3-4H,1-2H2,(H,11,12,13,14).
What are the key properties of N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide?
N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide has a molecular weight of 215.61 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 165134210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).