(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

C22H23FN2O3 — CID 93151820

IUPAC(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C22H23FN2O3/c1-28-20-5-3-2-4-17(20)18-12-25(13-19(18)21(26)24-16-10-11-16)22(27)14-6-8-15(23)9-7-14/h2-9,16,18-19H,10-13H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyZTXGNSJAJWLKTL-OALUTQOASA-N
MW382.44 g/mol
LogP2.97
Rot. Bonds5

About (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93151820) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93151820
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C22H23FN2O3/c1-28-20-5-3-2-4-17(20)18-12-25(13-19(18)21(26)24-16-10-11-16)22(27)14-6-8-15(23)9-7-14/h2-9,16,18-19H,10-13H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyZTXGNSJAJWLKTL-OALUTQOASA-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

(3S,4S)-N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151900
N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681040
(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151873
(3S,4S)-N-benzyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151783
(3R,4S)-1-(cyclopropanecarbonyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151849
N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42827099
1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829632
N-cyclopropyl-4-(2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 42681016
(3R,4R)-1-benzoyl-N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151893
N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 42826669
[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93151909
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 93151820) is (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NC1CC1.
What is the InChIKey of (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZTXGNSJAJWLKTL-OALUTQOASA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-28-20-5-3-2-4-17(20)18-12-25(13-19(18)21(26)24-16-10-11-16)22(27)14-6-8-15(23)9-7-14/h2-9,16,18-19H,10-13H2,1H3,(H,24,26)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)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 (3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93151820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).