2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide

C15H13ClFN3O — CID 136545084

IUPAC2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide
SMILESO=C(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClFN3O/c16-13-4-3-10(17)6-12(13)15(21)20-11-7-18-14(19-8-11)5-9-1-2-9/h3-4,6-9H,1-2,5H2,(H,20,21)
InChIKeyYEQQNVJNWDPEGQ-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide

2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide (PubChem CID 136545084) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide
PubChem CID136545084
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide
SMILESO=C(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClFN3O/c16-13-4-3-10(17)6-12(13)15(21)20-11-7-18-14(19-8-11)5-9-1-2-9/h3-4,6-9H,1-2,5H2,(H,20,21)
InChIKeyYEQQNVJNWDPEGQ-UHFFFAOYSA-N
XLogP3.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide (CID 136545084) is 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide is O=C(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide?
The InChIKey is YEQQNVJNWDPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-13-4-3-10(17)6-12(13)15(21)20-11-7-18-14(19-8-11)5-9-1-2-9/h3-4,6-9H,1-2,5H2,(H,20,21).
What are the key properties of 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide?
2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide has a molecular weight of 305.74 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-5-fluorobenzamide is sourced from PubChem (CID 136545084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).