(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide

C18H12F4N2O3 — CID 122378061

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@H](CF)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12F4N2O3/c19-9-14(24-16(26)12-3-1-2-4-13(12)17(24)27)15(25)23-11-7-5-10(6-8-11)18(20,21)22/h1-8,14H,9H2,(H,23,25)/t14-/m0/s1
InChIKeyDGZPULZEKNFZTQ-AWEZNQCLSA-N
MW380.30 g/mol
LogP3.28
Rot. Bonds4

About (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 122378061) has the molecular formula C18H12F4N2O3 and a molecular weight of 380.30 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID122378061
Molecular FormulaC18H12F4N2O3
Molecular Weight380.30 g/mol
Exact Mass380.08
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@H](CF)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12F4N2O3/c19-9-14(24-16(26)12-3-1-2-4-13(12)17(24)27)15(25)23-11-7-5-10(6-8-11)18(20,21)22/h1-8,14H,9H2,(H,23,25)/t14-/m0/s1
InChIKeyDGZPULZEKNFZTQ-AWEZNQCLSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 122378062
(2S)-N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 7914320
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1016516
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-phenylbutanamide
CID 3137675
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide
CID 2394811
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2925840
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-phenylbutanamide
CID 1218089
N-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide
CID 46603850
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7067637
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide (CID 122378061) is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](CF)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DGZPULZEKNFZTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H12F4N2O3/c19-9-14(24-16(26)12-3-1-2-4-13(12)17(24)27)15(25)23-11-7-5-10(6-8-11)18(20,21)22/h1-8,14H,9H2,(H,23,25)/t14-/m0/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 380.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 122378061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).