(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C24H23FN2O3 — CID 67010605

IUPAC(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc([C@H]2CN[C@H](C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)cc1
InChIInChI=1S/C24H23FN2O3/c1-29-20-8-2-16(3-9-20)17-14-23(26-15-17)24(28)27-19-6-12-22(13-7-19)30-21-10-4-18(25)5-11-21/h2-13,17,23,26H,14-15H2,1H3,(H,27,28)/t17-,23+/m1/s1
InChIKeyMQIIDMHJXZCIAI-HXOBKFHXSA-N
MW406.46 g/mol
LogP4.71
Rot. Bonds6

About (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide

(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 67010605) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID67010605
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc([C@H]2CN[C@H](C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)cc1
InChIInChI=1S/C24H23FN2O3/c1-29-20-8-2-16(3-9-20)17-14-23(26-15-17)24(28)27-19-6-12-22(13-7-19)30-21-10-4-18(25)5-11-21/h2-13,17,23,26H,14-15H2,1H3,(H,27,28)/t17-,23+/m1/s1
InChIKeyMQIIDMHJXZCIAI-HXOBKFHXSA-N
XLogP4.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide
CID 175544197
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 67010605) is (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc([C@H]2CN[C@H](C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)cc1.
What is the InChIKey of (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MQIIDMHJXZCIAI-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-29-20-8-2-16(3-9-20)17-14-23(26-15-17)24(28)27-19-6-12-22(13-7-19)30-21-10-4-18(25)5-11-21/h2-13,17,23,26H,14-15H2,1H3,(H,27,28)/t17-,23+/m1/s1.
What are the key properties of (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67010605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).