N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H20F3NO2 — CID 30095392

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(N[C@H](c1ccccc1)C1CC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)13-26-12-14-6-8-17(9-7-14)19(25)24-18(16-10-11-16)15-4-2-1-3-5-15/h1-9,16,18H,10-13H2,(H,24,25)/t18-/m1/s1
InChIKeyWSKMVKSLGMMGJR-GOSISDBHSA-N
MW363.38 g/mol
LogP4.65
Rot. Bonds7

About N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 30095392) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID30095392
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(N[C@H](c1ccccc1)C1CC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)13-26-12-14-6-8-17(9-7-14)19(25)24-18(16-10-11-16)15-4-2-1-3-5-15/h1-9,16,18H,10-13H2,(H,24,25)/t18-/m1/s1
InChIKeyWSKMVKSLGMMGJR-GOSISDBHSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46550378
N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 30095392) is N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is WSKMVKSLGMMGJR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)13-26-12-14-6-8-17(9-7-14)19(25)24-18(16-10-11-16)15-4-2-1-3-5-15/h1-9,16,18H,10-13H2,(H,24,25)/t18-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 30095392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).