4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

C20H22F4N2O — CID 90874062

IUPAC4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1C(F)(F)F)N(C)c1ccc(F)cc1
InChIInChI=1S/C20H22F4N2O/c1-14(26(2)17-10-8-16(21)9-11-17)7-12-19(27)25-13-15-5-3-4-6-18(15)20(22,23)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,25,27)
InChIKeyVGHOWGHDCWGKOX-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.77
Rot. Bonds7

About 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 90874062) has the molecular formula C20H22F4N2O and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID90874062
Molecular FormulaC20H22F4N2O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC Name4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1C(F)(F)F)N(C)c1ccc(F)cc1
InChIInChI=1S/C20H22F4N2O/c1-14(26(2)17-10-8-16(21)9-11-17)7-12-19(27)25-13-15-5-3-4-6-18(15)20(22,23)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,25,27)
InChIKeyVGHOWGHDCWGKOX-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 90874062) is 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is CC(CCC(=O)NCc1ccccc1C(F)(F)F)N(C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is VGHOWGHDCWGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O/c1-14(26(2)17-10-8-16(21)9-11-17)7-12-19(27)25-13-15-5-3-4-6-18(15)20(22,23)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,25,27).
What are the key properties of 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 382.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 90874062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).