N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

C20H21FN2O3 — CID 45212909

IUPACN-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-13-19(24)23-11-3-6-18(23)20(25)22-17-9-7-14(8-10-17)15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyDPRATPCGEFXRPW-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 45212909) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID45212909
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-13-19(24)23-11-3-6-18(23)20(25)22-17-9-7-14(8-10-17)15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyDPRATPCGEFXRPW-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
(2S)-1-(2-methoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91589177
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 42239955
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45178841
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42518874
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (CID 45212909) is N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is COCC(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is DPRATPCGEFXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-13-19(24)23-11-3-6-18(23)20(25)22-17-9-7-14(8-10-17)15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45212909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).