N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide

C22H23FN2O3 — CID 42827099

IUPACN-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NC3CC3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H23FN2O3/c1-28-18-10-4-15(5-11-18)22(27)25-12-19(14-2-6-16(23)7-3-14)20(13-25)21(26)24-17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyRKVGMBXWEKNMGZ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.97
Rot. Bonds5

About N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide

N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide (PubChem CID 42827099) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
PubChem CID42827099
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NC3CC3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H23FN2O3/c1-28-18-10-4-15(5-11-18)22(27)25-12-19(14-2-6-16(23)7-3-14)20(13-25)21(26)24-17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyRKVGMBXWEKNMGZ-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680870
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151820
(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 97478904
(3R,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148499
(3S,4S)-1-benzoyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93148791
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42680250
(4S)-1-[4-[(3S,4S)-3,4-bis[[(2R)-2-(4-fluorophenyl)cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]-3-N-[(1S)-2-(4-fluorophenyl)cyclopropyl]-4-N-[2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 145434439
N-cyclopropyl-1-(ethylcarbamothioyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 90488180
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
CID 153340115
1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide (CID 42827099) is N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CC(C(=O)NC3CC3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is RKVGMBXWEKNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-28-18-10-4-15(5-11-18)22(27)25-12-19(14-2-6-16(23)7-3-14)20(13-25)21(26)24-17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-13H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42827099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).