N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide

C23H28F3N3O3 — CID 6724590

IUPACN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H28F3N3O3/c1-3-12-29(13-4-2)22(32)20(15-30)28-21(31)18-10-5-6-11-19(18)27-17-9-7-8-16(14-17)23(24,25)26/h5-11,14,20,27,30H,3-4,12-13,15H2,1-2H3,(H,28,31)/t20-/m0/s1
InChIKeyGFELJJFFONXSNU-FQEVSTJZSA-N
MW451.49 g/mol
LogP4.19
Rot. Bonds10

About N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide

N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 6724590) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID6724590
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H28F3N3O3/c1-3-12-29(13-4-2)22(32)20(15-30)28-21(31)18-10-5-6-11-19(18)27-17-9-7-8-16(14-17)23(24,25)26/h5-11,14,20,27,30H,3-4,12-13,15H2,1-2H3,(H,28,31)/t20-/m0/s1
InChIKeyGFELJJFFONXSNU-FQEVSTJZSA-N
XLogP4.19
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 4227522
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 6724603
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 6724785
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 166247033
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide (CID 6724590) is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide is CCCN(CCC)C(=O)[C@H](CO)NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is GFELJJFFONXSNU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-3-12-29(13-4-2)22(32)20(15-30)28-21(31)18-10-5-6-11-19(18)27-17-9-7-8-16(14-17)23(24,25)26/h5-11,14,20,27,30H,3-4,12-13,15H2,1-2H3,(H,28,31)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 451.49 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 6724590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).