1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide

C10H11ClFN3O — CID 166757007

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H11ClFN3O/c11-9-14-5-6(12)7(15-9)10(8(13)16)3-1-2-4-10/h5H,1-4H2,(H2,13,16)
InChIKeyAVPZWAMJNAFRJT-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.57
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide

1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide (PubChem CID 166757007) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide
PubChem CID166757007
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H11ClFN3O/c11-9-14-5-6(12)7(15-9)10(8(13)16)3-1-2-4-10/h5H,1-4H2,(H2,13,16)
InChIKeyAVPZWAMJNAFRJT-UHFFFAOYSA-N
XLogP1.57
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide (CID 166757007) is 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide is NC(=O)C1(c2nc(Cl)ncc2F)CCCC1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is AVPZWAMJNAFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-9-14-5-6(12)7(15-9)10(8(13)16)3-1-2-4-10/h5H,1-4H2,(H2,13,16).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 166757007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).