N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide

C13H14F4N2O2 — CID 79883906

IUPACN-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H14F4N2O2/c1-19(2)10(20)6-7-18-12(21)8-4-3-5-9(11(8)14)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyWWOPVCPRTHWYJZ-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.05
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide

N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79883906) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79883906
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H14F4N2O2/c1-19(2)10(20)6-7-18-12(21)8-4-3-5-9(11(8)14)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyWWOPVCPRTHWYJZ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide (CID 79883906) is N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide is CN(C)C(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is WWOPVCPRTHWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-19(2)10(20)6-7-18-12(21)8-4-3-5-9(11(8)14)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 306.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79883906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).