N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide

C16H14F3N3O — CID 75395373

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
SMILESCc1ccnc(C(NC(=O)c2cc(F)c(F)cc2F)C2CC2)n1
InChIInChI=1S/C16H14F3N3O/c1-8-4-5-20-15(21-8)14(9-2-3-9)22-16(23)10-6-12(18)13(19)7-11(10)17/h4-7,9,14H,2-3H2,1H3,(H,22,23)
InChIKeyAQFMCYUZCILJCL-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.08
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide (PubChem CID 75395373) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
PubChem CID75395373
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
SMILESCc1ccnc(C(NC(=O)c2cc(F)c(F)cc2F)C2CC2)n1
InChIInChI=1S/C16H14F3N3O/c1-8-4-5-20-15(21-8)14(9-2-3-9)22-16(23)10-6-12(18)13(19)7-11(10)17/h4-7,9,14H,2-3H2,1H3,(H,22,23)
InChIKeyAQFMCYUZCILJCL-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 97251116
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
CID 75444590
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97251106
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 97330343
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide
CID 138026778
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 75437033
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 84593131
4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 97251077
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]morpholine-4-carboxamide
CID 75521863
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide
CID 75444475
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 75395364
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75395361

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide (CID 75395373) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide is Cc1ccnc(C(NC(=O)c2cc(F)c(F)cc2F)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide?
The InChIKey is AQFMCYUZCILJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-8-4-5-20-15(21-8)14(9-2-3-9)22-16(23)10-6-12(18)13(19)7-11(10)17/h4-7,9,14H,2-3H2,1H3,(H,22,23).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide has a molecular weight of 321.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide is sourced from PubChem (CID 75395373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).