N-[(2,3,4-trifluorophenyl)methyl]propanamide

C10H10F3NO — CID 110477463

IUPACN-[(2,3,4-trifluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO/c1-2-8(15)14-5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyLTMHTNFRUNPYDL-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.13
Rot. Bonds3

About N-[(2,3,4-trifluorophenyl)methyl]propanamide

N-[(2,3,4-trifluorophenyl)methyl]propanamide (PubChem CID 110477463) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[(2,3,4-trifluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,3,4-trifluorophenyl)methyl]propanamide
PubChem CID110477463
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[(2,3,4-trifluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO/c1-2-8(15)14-5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyLTMHTNFRUNPYDL-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
CID 110483102
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487486
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
2-[1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 58157067
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]propanamide (CID 110477463) is N-[(2,3,4-trifluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The canonical SMILES for N-[(2,3,4-trifluorophenyl)methyl]propanamide is CCC(=O)NCc1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The InChIKey is LTMHTNFRUNPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-8(15)14-5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of N-[(2,3,4-trifluorophenyl)methyl]propanamide?
N-[(2,3,4-trifluorophenyl)methyl]propanamide has a molecular weight of 217.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trifluorophenyl)methyl]propanamide is sourced from PubChem (CID 110477463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).