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

C21H22F3NO2 — CID 55589101

IUPACN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(COCC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C21H22F3NO2/c1-15-2-4-16(5-3-15)12-25(19-10-11-19)20(26)18-8-6-17(7-9-18)13-27-14-21(22,23)24/h2-9,19H,10-14H2,1H3
InChIKeyZDUNRSZJMBSMCT-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.88
Rot. Bonds7

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

N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55589101) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55589101
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(COCC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C21H22F3NO2/c1-15-2-4-16(5-3-15)12-25(19-10-11-19)20(26)18-8-6-17(7-9-18)13-27-14-21(22,23)24/h2-9,19H,10-14H2,1H3
InChIKeyZDUNRSZJMBSMCT-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55589101) is N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1ccc(CN(C(=O)c2ccc(COCC(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is ZDUNRSZJMBSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-15-2-4-16(5-3-15)12-25(19-10-11-19)20(26)18-8-6-17(7-9-18)13-27-14-21(22,23)24/h2-9,19H,10-14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 377.41 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55589101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).