N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide

C17H17F2N3O — CID 97330343

IUPACN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
SMILESCc1ccnc([C@H](NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1
InChIInChI=1S/C17H17F2N3O/c1-10-6-7-20-17(21-10)16(12-3-4-12)22-15(23)9-11-2-5-13(18)14(19)8-11/h2,5-8,12,16H,3-4,9H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyFTBAZVJVSJSXDY-MRXNPFEDSA-N
MW317.34 g/mol
LogP2.87
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide

N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 97330343) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID97330343
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
SMILESCc1ccnc([C@H](NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1
InChIInChI=1S/C17H17F2N3O/c1-10-6-7-20-17(21-10)16(12-3-4-12)22-15(23)9-11-2-5-13(18)14(19)8-11/h2,5-8,12,16H,3-4,9H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyFTBAZVJVSJSXDY-MRXNPFEDSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide (CID 97330343) is N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide is Cc1ccnc([C@H](NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is FTBAZVJVSJSXDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-10-6-7-20-17(21-10)16(12-3-4-12)22-15(23)9-11-2-5-13(18)14(19)8-11/h2,5-8,12,16H,3-4,9H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide?
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 317.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 97330343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).