N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide

C19H18F3NO2 — CID 42265583

IUPACN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C19H18F3NO2/c1-25-16-8-6-14(7-9-16)18(10-11-18)12-23-17(24)13-2-4-15(5-3-13)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyZXVMIPTXYKBYFK-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.18
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 42265583) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID42265583
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C19H18F3NO2/c1-25-16-8-6-14(7-9-16)18(10-11-18)12-23-17(24)13-2-4-15(5-3-13)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyZXVMIPTXYKBYFK-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 59580013
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide (CID 42265583) is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide is COc1ccc(C2(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZXVMIPTXYKBYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-25-16-8-6-14(7-9-16)18(10-11-18)12-23-17(24)13-2-4-15(5-3-13)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,24).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 349.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42265583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).