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

C22H23ClN2O3 — CID 93151873

IUPAC(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C22H23ClN2O3/c1-28-20-8-3-2-7-17(20)18-12-25(13-19(18)21(26)24-16-9-10-16)22(27)14-5-4-6-15(23)11-14/h2-8,11,16,18-19H,9-10,12-13H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyKJIRCSCMVDNNGW-OALUTQOASA-N
MW398.89 g/mol
LogP3.48
Rot. Bonds5

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

(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93151873) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93151873
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C22H23ClN2O3/c1-28-20-8-3-2-7-17(20)18-12-25(13-19(18)21(26)24-16-9-10-16)22(27)14-5-4-6-15(23)11-14/h2-8,11,16,18-19H,9-10,12-13H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyKJIRCSCMVDNNGW-OALUTQOASA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154199
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151820
N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42680772
(3R,4S)-1-(cyclopropanecarbonyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151849
N-cyclopropyl-4-(2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 42681016
(3R,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93152782
(3S,4R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93152783
(3S,4R)-1-(3-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93152229
(3S,4S)-1-(3-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93152191
(3R,4S)-N-benzyl-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154143
(3R,4S)-N-benzyl-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150560
(3S,4S)-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154114

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 93151873) is (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C(=O)NC1CC1.
What is the InChIKey of (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KJIRCSCMVDNNGW-OALUTQOASA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-28-20-8-3-2-7-17(20)18-12-25(13-19(18)21(26)24-16-9-10-16)22(27)14-5-4-6-15(23)11-14/h2-8,11,16,18-19H,9-10,12-13H2,1H3,(H,24,26)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93151873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).