[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate

C19H18F3NO3 — CID 25494057

IUPAC[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)NCCC(=O)OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO3/c1-13-5-4-7-14(11-13)18(25)23-10-9-17(24)26-12-15-6-2-3-8-16(15)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyQFANQBFPIFVPMK-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.88
Rot. Bonds6

About [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate

[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 25494057) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
PubChem CID25494057
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)NCCC(=O)OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO3/c1-13-5-4-7-14(11-13)18(25)23-10-9-17(24)26-12-15-6-2-3-8-16(15)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyQFANQBFPIFVPMK-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 31457139
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 26682168
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
benzyl 3-[(3-aminobenzoyl)amino]propanoate;2,2,2-trifluoroacetic acid
CID 67827899
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
(3-methylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate
CID 8574720
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 40762897
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate (CID 25494057) is [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)NCCC(=O)OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is QFANQBFPIFVPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-13-5-4-7-14(11-13)18(25)23-10-9-17(24)26-12-15-6-2-3-8-16(15)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate?
[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 365.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 25494057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).