N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C14H16F3N3O3 — CID 91393192

IUPACN-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCCC(NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C14H16F3N3O3/c1-2-10(12(18)22)20-11(21)7-19-13(23)8-4-3-5-9(6-8)14(15,16)17/h3-6,10H,2,7H2,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyQELOLNOICNGTID-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.82
Rot. Bonds6

About N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 91393192) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID91393192
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCCC(NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C14H16F3N3O3/c1-2-10(12(18)22)20-11(21)7-19-13(23)8-4-3-5-9(6-8)14(15,16)17/h3-6,10H,2,7H2,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyQELOLNOICNGTID-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 91393192) is N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is CCC(NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QELOLNOICNGTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-2-10(12(18)22)20-11(21)7-19-13(23)8-4-3-5-9(6-8)14(15,16)17/h3-6,10H,2,7H2,1H3,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 331.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91393192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).