3,4,5-trifluoro-N-(2-oxopropyl)benzamide

C10H8F3NO2 — CID 64997335

IUPAC3,4,5-trifluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)6-2-7(11)9(13)8(12)3-6/h2-3H,4H2,1H3,(H,14,16)
InChIKeyYVOSMFQSQQNIIK-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.42
Rot. Bonds3

About 3,4,5-trifluoro-N-(2-oxopropyl)benzamide

3,4,5-trifluoro-N-(2-oxopropyl)benzamide (PubChem CID 64997335) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-oxopropyl)benzamide
PubChem CID64997335
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3,4,5-trifluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)6-2-7(11)9(13)8(12)3-6/h2-3H,4H2,1H3,(H,14,16)
InChIKeyYVOSMFQSQQNIIK-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
3,4,5-trifluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528204
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-oxopropyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(2-oxopropyl)benzamide (CID 64997335) is 3,4,5-trifluoro-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-oxopropyl)benzamide?
The InChIKey is YVOSMFQSQQNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)6-2-7(11)9(13)8(12)3-6/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of 3,4,5-trifluoro-N-(2-oxopropyl)benzamide?
3,4,5-trifluoro-N-(2-oxopropyl)benzamide has a molecular weight of 231.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64997335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).