4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C20H19F3N2O3 — CID 38258141

IUPAC4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-25(12-15-4-2-3-5-17(15)28-20(21,22)23)19(27)14-8-10-16(11-9-14)24-18(26)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,24,26)
InChIKeyRRCCXMGJEJRECR-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.21
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 38258141) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID38258141
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-25(12-15-4-2-3-5-17(15)28-20(21,22)23)19(27)14-8-10-16(11-9-14)24-18(26)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,24,26)
InChIKeyRRCCXMGJEJRECR-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047532

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 38258141) is 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is RRCCXMGJEJRECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-25(12-15-4-2-3-5-17(15)28-20(21,22)23)19(27)14-8-10-16(11-9-14)24-18(26)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,24,26).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 38258141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).