N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide

C22H26FN3O3 — CID 86864013

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-20-9-6-17(22(28)26-12-2-3-13-26)14-19(20)25-15-21(27)24-11-10-16-4-7-18(23)8-5-16/h4-9,14,25H,2-3,10-13,15H2,1H3,(H,24,27)
InChIKeyLKIKLYJXOOFMOY-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 86864013) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID86864013
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-20-9-6-17(22(28)26-12-2-3-13-26)14-19(20)25-15-21(27)24-11-10-16-4-7-18(23)8-5-16/h4-9,14,25H,2-3,10-13,15H2,1H3,(H,24,27)
InChIKeyLKIKLYJXOOFMOY-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109000570
4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
CID 87029422
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662
[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 10365210
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 18284827

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 86864013) is N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide is COc1ccc(C(=O)N2CCCC2)cc1NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is LKIKLYJXOOFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-29-20-9-6-17(22(28)26-12-2-3-13-26)14-19(20)25-15-21(27)24-11-10-16-4-7-18(23)8-5-16/h4-9,14,25H,2-3,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 399.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 86864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).