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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Related Compounds

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 75395364
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 75395373
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 97251116
2-fluoro-4-[2-[1-(4-methylpyrimidin-2-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 166284679
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 75437033
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide
CID 71905947
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide
CID 84592973
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
CID 75444590
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 75444474
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97251106
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]morpholine-4-carboxamide
CID 75521863
4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 97251077

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).