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

C18H15F4NO — CID 42266020

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F4NO/c19-15-7-5-13(6-8-15)17(9-10-17)11-23-16(24)12-1-3-14(4-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,24)
InChIKeyHKGRTSYCNYIJLH-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.31
Rot. Bonds4

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

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 42266020) has the molecular formula C18H15F4NO and a molecular weight of 337.32 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID42266020
Molecular FormulaC18H15F4NO
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F4NO/c19-15-7-5-13(6-8-15)17(9-10-17)11-23-16(24)12-1-3-14(4-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,24)
InChIKeyHKGRTSYCNYIJLH-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99828587
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide (CID 42266020) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HKGRTSYCNYIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO/c19-15-7-5-13(6-8-15)17(9-10-17)11-23-16(24)12-1-3-14(4-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,24).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 337.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42266020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).