2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide

C13H13F4NO — CID 103738888

IUPAC2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C13H13F4NO/c1-12(5-6-12)7-18-11(19)8-3-2-4-9(10(8)14)13(15,16)17/h2-4H,5-7H2,1H3,(H,18,19)
InChIKeyQWIGYJUJWXOLPX-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.37
Rot. Bonds3

About 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 103738888) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID103738888
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C13H13F4NO/c1-12(5-6-12)7-18-11(19)8-3-2-4-9(10(8)14)13(15,16)17/h2-4H,5-7H2,1H3,(H,18,19)
InChIKeyQWIGYJUJWXOLPX-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide (CID 103738888) is 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide is CC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QWIGYJUJWXOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-12(5-6-12)7-18-11(19)8-3-2-4-9(10(8)14)13(15,16)17/h2-4H,5-7H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 275.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103738888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).