N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide

C13H14F3NO — CID 121446761

IUPACN-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1CCC1
InChIInChI=1S/C13H14F3NO/c1-17(13(18)8-3-2-4-8)7-9-5-10(14)6-11(15)12(9)16/h5-6,8H,2-4,7H2,1H3
InChIKeyBDZGAOVAARIONY-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.86
Rot. Bonds3

About N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide

N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide (PubChem CID 121446761) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide
PubChem CID121446761
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1CCC1
InChIInChI=1S/C13H14F3NO/c1-17(13(18)8-3-2-4-8)7-9-5-10(14)6-11(15)12(9)16/h5-6,8H,2-4,7H2,1H3
InChIKeyBDZGAOVAARIONY-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 1491068
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CID 563406
RIP1 kinase inhibitor 5
CID 151890382
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
N-ethyl-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-methylcyclobutane-1-carboxamide
CID 16119587
N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121440014
N-hydroxy-2,2-dimethyl-N-[(2,3,4-trifluorophenyl)methyl]butanamide
CID 121440032
N-hydroxy-2,2-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]butanamide
CID 121440033
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclohexane-1-carboxamide
CID 121446676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide (CID 121446761) is N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide is CN(Cc1cc(F)cc(F)c1F)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide?
The InChIKey is BDZGAOVAARIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-17(13(18)8-3-2-4-8)7-9-5-10(14)6-11(15)12(9)16/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide?
N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2,3,5-trifluorophenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 121446761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).