1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

C22H26FN3O3 — CID 71857174

IUPAC1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN2Cc2ccc(F)cc2)cc1)NCCO
InChIInChI=1S/C22H26FN3O3/c23-18-7-3-17(4-8-18)15-26-12-1-2-20(26)22(29)25-19-9-5-16(6-10-19)14-21(28)24-11-13-27/h3-10,20,27H,1-2,11-15H2,(H,24,28)(H,25,29)
InChIKeyHTAZYSPWTCFHFI-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.08
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 71857174) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID71857174
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN2Cc2ccc(F)cc2)cc1)NCCO
InChIInChI=1S/C22H26FN3O3/c23-18-7-3-17(4-8-18)15-26-12-1-2-20(26)22(29)25-19-9-5-16(6-10-19)14-21(28)24-11-13-27/h3-10,20,27H,1-2,11-15H2,(H,24,28)(H,25,29)
InChIKeyHTAZYSPWTCFHFI-UHFFFAOYSA-N
XLogP2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 119548242
1-[(4-fluorophenyl)methyl]-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 136512095
1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 71982296
(2R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 95786845
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
(2S)-N-[3-(tert-butylsulfonylmethyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 95786903

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (CID 71857174) is 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is O=C(Cc1ccc(NC(=O)C2CCCN2Cc2ccc(F)cc2)cc1)NCCO.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is HTAZYSPWTCFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-18-7-3-17(4-8-18)15-26-12-1-2-20(26)22(29)25-19-9-5-16(6-10-19)14-21(28)24-11-13-27/h3-10,20,27H,1-2,11-15H2,(H,24,28)(H,25,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71857174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).