N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide

C21H25F2N3O2 — CID 175917284

IUPACN-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC2CNC(C(=O)NCCc3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-28-17-5-2-15(3-6-17)12-25-16-11-20(26-13-16)21(27)24-9-8-14-4-7-18(22)19(23)10-14/h2-7,10,16,20,25-26H,8-9,11-13H2,1H3,(H,24,27)
InChIKeyLIJQNUXJDIQEIX-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.15
Rot. Bonds8

About N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide

N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide (PubChem CID 175917284) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
PubChem CID175917284
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC2CNC(C(=O)NCCc3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-28-17-5-2-15(3-6-17)12-25-16-11-20(26-13-16)21(27)24-9-8-14-4-7-18(22)19(23)10-14/h2-7,10,16,20,25-26H,8-9,11-13H2,1H3,(H,24,27)
InChIKeyLIJQNUXJDIQEIX-UHFFFAOYSA-N
XLogP2.15
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide
CID 175917282
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
(2S,4S)-1-[(4-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 135307015
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
(3S,5S)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolidin-3-amine
CID 175911514
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392265
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxybenzoyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4973766
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide (CID 175917284) is N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide is COc1ccc(CNC2CNC(C(=O)NCCc3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide?
The InChIKey is LIJQNUXJDIQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-28-17-5-2-15(3-6-17)12-25-16-11-20(26-13-16)21(27)24-9-8-14-4-7-18(22)19(23)10-14/h2-7,10,16,20,25-26H,8-9,11-13H2,1H3,(H,24,27).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide?
N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175917284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).