N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide

C21H21F3N2O3 — CID 42890216

IUPACN-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H21F3N2O3/c1-26(13-15-6-2-3-9-17(15)21(22,23)24)20(28)14-7-4-8-16(12-14)25-19(27)18-10-5-11-29-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,25,27)
InChIKeyAZSAFTBQRSGIAN-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.10
Rot. Bonds5

About N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42890216) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42890216
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC NameN-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H21F3N2O3/c1-26(13-15-6-2-3-9-17(15)21(22,23)24)20(28)14-7-4-8-16(12-14)25-19(27)18-10-5-11-29-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,25,27)
InChIKeyAZSAFTBQRSGIAN-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 42949411
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 75463883
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 42890216) is N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is AZSAFTBQRSGIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-26(13-15-6-2-3-9-17(15)21(22,23)24)20(28)14-7-4-8-16(12-14)25-19(27)18-10-5-11-29-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,25,27).
What are the key properties of N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42890216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).