2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21F3N2O2 — CID 124680099

IUPAC2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c1-15(17-8-4-3-5-9-17)22(30)29-21-13-7-12-20(16(21)2)23(31)28-19-11-6-10-18(14-19)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H,29,30)/t15-/m0/s1
InChIKeyGPODZKBQLJHZBJ-HNNXBMFYSA-N
MW426.44 g/mol
LogP6.01
Rot. Bonds5

About 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 124680099) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID124680099
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c1-15(17-8-4-3-5-9-17)22(30)29-21-13-7-12-20(16(21)2)23(31)28-19-11-6-10-18(14-19)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H,29,30)/t15-/m0/s1
InChIKeyGPODZKBQLJHZBJ-HNNXBMFYSA-N
XLogP6.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
CID 7953763
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 124680099) is 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GPODZKBQLJHZBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-15(17-8-4-3-5-9-17)22(30)29-21-13-7-12-20(16(21)2)23(31)28-19-11-6-10-18(14-19)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H,29,30)/t15-/m0/s1.
What are the key properties of 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 124680099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).