3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C10H7ClF5NO — CID 113336694

IUPAC3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(CCl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7ClF5NO/c1-3(2-11)10(18)17-9-7(15)5(13)4(12)6(14)8(9)16/h3H,2H2,1H3,(H,17,18)
InChIKeyYAOTVAHIARJGFJ-UHFFFAOYSA-N
MW287.62 g/mol
LogP3.20
Rot. Bonds3

About 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide

3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 113336694) has the molecular formula C10H7ClF5NO and a molecular weight of 287.62 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID113336694
Molecular FormulaC10H7ClF5NO
Molecular Weight287.62 g/mol
Exact Mass287.01
IUPAC Name3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(CCl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7ClF5NO/c1-3(2-11)10(18)17-9-7(15)5(13)4(12)6(14)8(9)16/h3H,2H2,1H3,(H,17,18)
InChIKeyYAOTVAHIARJGFJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564436
2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113225588
3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
CID 63463204
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
2-carbamothioyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564579
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
1-N,2-N,3-N-tris(2,3,4,5,6-pentafluorophenyl)propane-1,2,3-tricarboxamide
CID 88545240
2-carbamothioyl-3-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564576

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 113336694) is 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide is CC(CCl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is YAOTVAHIARJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO/c1-3(2-11)10(18)17-9-7(15)5(13)4(12)6(14)8(9)16/h3H,2H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 287.62 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 113336694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).