2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide

C15H14ClN3O — CID 122263745

IUPAC2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20)
InChIKeyFZZIEZALPJKFQC-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide

2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122263745) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
PubChem CID122263745
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20)
InChIKeyFZZIEZALPJKFQC-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide (CID 122263745) is 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1cc(C2CC2)ncn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is FZZIEZALPJKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20).
What are the key properties of 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 287.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122263745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).