N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C12H13F3N2O2 — CID 63374871

IUPACN-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-7-16-10(18)8-5-3-4-6-9(8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyIYOHSCYYZKYTGC-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.33
Rot. Bonds4

About N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 63374871) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID63374871
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-7-16-10(18)8-5-3-4-6-9(8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyIYOHSCYYZKYTGC-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 63374871) is N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CCCNC(=O)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is IYOHSCYYZKYTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-7-16-10(18)8-5-3-4-6-9(8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 274.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 63374871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).