N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide

C16H18F3N5O4 — CID 122625157

IUPACN-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N(C)CC(=O)Nn1cc2ccc(OC(F)(F)F)cc2n1
InChIInChI=1S/C16H18F3N5O4/c1-3-13(25)20-7-15(27)23(2)9-14(26)22-24-8-10-4-5-11(6-12(10)21-24)28-16(17,18)19/h4-6,8H,3,7,9H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyJHUWRSDHJFIRGP-UHFFFAOYSA-N
MW401.35 g/mol
LogP0.99
Rot. Bonds7

About N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide

N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide (PubChem CID 122625157) has the molecular formula C16H18F3N5O4 and a molecular weight of 401.35 g/mol. Its IUPAC name is N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
PubChem CID122625157
Molecular FormulaC16H18F3N5O4
Molecular Weight401.35 g/mol
Exact Mass401.13
IUPAC NameN-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N(C)CC(=O)Nn1cc2ccc(OC(F)(F)F)cc2n1
InChIInChI=1S/C16H18F3N5O4/c1-3-13(25)20-7-15(27)23(2)9-14(26)22-24-8-10-4-5-11(6-12(10)21-24)28-16(17,18)19/h4-6,8H,3,7,9H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyJHUWRSDHJFIRGP-UHFFFAOYSA-N
XLogP0.99
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]pentanamide
CID 156566187
2-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
CID 122625083
N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
CID 122624832
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
ethyl 2,2-difluoro-2-[6-(trifluoromethoxy)quinoxalin-2-yl]acetate
CID 71143405
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18267569
2-[[2-(methanesulfonamido)acetyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122656861
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
CID 9188659
N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545266

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide (CID 122625157) is N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N(C)CC(=O)Nn1cc2ccc(OC(F)(F)F)cc2n1.
What is the InChIKey of N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is JHUWRSDHJFIRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O4/c1-3-13(25)20-7-15(27)23(2)9-14(26)22-24-8-10-4-5-11(6-12(10)21-24)28-16(17,18)19/h4-6,8H,3,7,9H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide?
N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 401.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 122625157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).