N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide

C18H18F4N2O — CID 10066693

IUPACN-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H18F4N2O/c1-2-3-17(25)24-16-9-4-12(10-15(16)19)11-23-14-7-5-13(6-8-14)18(20,21)22/h4-10,23H,2-3,11H2,1H3,(H,24,25)
InChIKeyYIJKAGUJZZPFTO-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.20
Rot. Bonds6

About N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide

N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide (PubChem CID 10066693) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
PubChem CID10066693
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC NameN-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H18F4N2O/c1-2-3-17(25)24-16-9-4-12(10-15(16)19)11-23-14-7-5-13(6-8-14)18(20,21)22/h4-10,23H,2-3,11H2,1H3,(H,24,25)
InChIKeyYIJKAGUJZZPFTO-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663601
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7-(4-fluorophenyl)heptanamide
CID 154663608
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
CID 154663635
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
CID 154663584
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide?
The IUPAC name of N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide (CID 10066693) is N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide?
The canonical SMILES for N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide?
The InChIKey is YIJKAGUJZZPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c1-2-3-17(25)24-16-9-4-12(10-15(16)19)11-23-14-7-5-13(6-8-14)18(20,21)22/h4-10,23H,2-3,11H2,1H3,(H,24,25).
What are the key properties of N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide?
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide has a molecular weight of 354.35 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide is sourced from PubChem (CID 10066693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).