N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide

C17H15F4NO — CID 175178417

IUPACN-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide
SMILESCc1c(Cc2cccc(C(F)(F)F)c2)cc(F)cc1N(C)C=O
InChIInChI=1S/C17H15F4NO/c1-11-13(8-15(18)9-16(11)22(2)10-23)6-12-4-3-5-14(7-12)17(19,20)21/h3-5,7-10H,6H2,1-2H3
InChIKeyLEEROBGNDCWQEO-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.34
Rot. Bonds4

About N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide

N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide (PubChem CID 175178417) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide
PubChem CID175178417
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC NameN-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide
SMILESCc1c(Cc2cccc(C(F)(F)F)c2)cc(F)cc1N(C)C=O
InChIInChI=1S/C17H15F4NO/c1-11-13(8-15(18)9-16(11)22(2)10-23)6-12-4-3-5-14(7-12)17(19,20)21/h3-5,7-10H,6H2,1-2H3
InChIKeyLEEROBGNDCWQEO-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]benzoic acid;hydrochloride
CID 162371239
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 167653908
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide (CID 175178417) is N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide is Cc1c(Cc2cccc(C(F)(F)F)c2)cc(F)cc1N(C)C=O.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide?
The InChIKey is LEEROBGNDCWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO/c1-11-13(8-15(18)9-16(11)22(2)10-23)6-12-4-3-5-14(7-12)17(19,20)21/h3-5,7-10H,6H2,1-2H3.
What are the key properties of N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide?
N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide has a molecular weight of 325.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide is sourced from PubChem (CID 175178417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).