[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone

C19H18F4N2O2 — CID 100688289

IUPAC[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccc(F)cc2OC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C19H18F4N2O2/c20-15-6-3-14(17(11-15)27-19(21,22)23)12-24-16-7-4-13(5-8-16)18(26)25-9-1-2-10-25/h3-8,11,24H,1-2,9-10,12H2
InChIKeyCPXRNPZAYCHZOW-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.57
Rot. Bonds5

About [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone

[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 100688289) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID100688289
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccc(F)cc2OC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C19H18F4N2O2/c20-15-6-3-14(17(11-15)27-19(21,22)23)12-24-16-7-4-13(5-8-16)18(26)25-9-1-2-10-25/h3-8,11,24H,1-2,9-10,12H2
InChIKeyCPXRNPZAYCHZOW-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[[2-(trifluoromethoxy)phenyl]methylamino]benzoyl]piperazin-1-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 165414439
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616
pyrrolidin-1-yl-[4-(16,16,16-trifluorohexadecylamino)phenyl]methanone
CID 20549338
[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroperoxyamino)-3-(trifluoromethoxy)phenyl]methanone
CID 121290910
piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
CID 20549334
2-fluoro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]benzoic acid
CID 166247937
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386

Frequently Asked Questions

What is the IUPAC name of [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone (CID 100688289) is [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(NCc2ccc(F)cc2OC(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CPXRNPZAYCHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c20-15-6-3-14(17(11-15)27-19(21,22)23)12-24-16-7-4-13(5-8-16)18(26)25-9-1-2-10-25/h3-8,11,24H,1-2,9-10,12H2.
What are the key properties of [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 382.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 100688289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).