N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

C26H25ClN2O3 — CID 42680858

IUPACN-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccc(Cl)cc3)CC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-22-9-5-8-20(14-22)23-16-29(26(31)19-10-12-21(27)13-11-19)17-24(23)25(30)28-15-18-6-3-2-4-7-18/h2-14,23-24H,15-17H2,1H3,(H,28,30)
InChIKeyHYZVGPBFDCIDSN-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.52
Rot. Bonds6

About N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42680858) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42680858
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC NameN-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccc(Cl)cc3)CC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-22-9-5-8-20(14-22)23-16-29(26(31)19-10-12-21(27)13-11-19)17-24(23)25(30)28-15-18-6-3-2-4-7-18/h2-14,23-24H,15-17H2,1H3,(H,28,30)
InChIKeyHYZVGPBFDCIDSN-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681662
N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826711
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681744
(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150878
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93150934
1-(3-chlorobenzoyl)-4-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42682013
3-(4-chlorophenyl)-4-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 68633022
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992
1-benzoyl-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681657
(3R,4S)-N-benzyl-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154143
(3R,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148499
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42680858) is N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is COc1cccc(C2CN(C(=O)c3ccc(Cl)cc3)CC2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HYZVGPBFDCIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-32-22-9-5-8-20(14-22)23-16-29(26(31)19-10-12-21(27)13-11-19)17-24(23)25(30)28-15-18-6-3-2-4-7-18/h2-14,23-24H,15-17H2,1H3,(H,28,30).
What are the key properties of N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).