4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

C19H17F3N2O2 — CID 96545552

IUPAC4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H17F3N2O2/c1-24(12-8-6-11(7-9-12)17(23)25)18(26)15-10-14(15)13-4-2-3-5-16(13)19(20,21)22/h2-9,14-15H,10H2,1H3,(H2,23,25)/t14-,15-/m0/s1
InChIKeyXGUILFHXPAYUFG-GJZGRUSLSA-N
MW362.35 g/mol
LogP3.57
Rot. Bonds4

About 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (PubChem CID 96545552) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
PubChem CID96545552
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H17F3N2O2/c1-24(12-8-6-11(7-9-12)17(23)25)18(26)15-10-14(15)13-4-2-3-5-16(13)19(20,21)22/h2-9,14-15H,10H2,1H3,(H2,23,25)/t14-,15-/m0/s1
InChIKeyXGUILFHXPAYUFG-GJZGRUSLSA-N
XLogP3.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (CID 96545552) is 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is CN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The InChIKey is XGUILFHXPAYUFG-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-24(12-8-6-11(7-9-12)17(23)25)18(26)15-10-14(15)13-4-2-3-5-16(13)19(20,21)22/h2-9,14-15H,10H2,1H3,(H2,23,25)/t14-,15-/m0/s1.
What are the key properties of 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 96545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).