N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

C26H25ClN2O3 — CID 42826711

IUPACN-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-20-11-7-10-19(14-20)22-16-29(26(31)21-12-5-6-13-24(21)27)17-23(22)25(30)28-15-18-8-3-2-4-9-18/h2-14,22-23H,15-17H2,1H3,(H,28,30)
InChIKeyCFCFNEGFMDCYEI-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.52
Rot. Bonds6

About N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42826711) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42826711
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC NameN-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-20-11-7-10-19(14-20)22-16-29(26(31)21-12-5-6-13-24(21)27)17-23(22)25(30)28-15-18-8-3-2-4-9-18/h2-14,22-23H,15-17H2,1H3,(H,28,30)
InChIKeyCFCFNEGFMDCYEI-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

(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150878
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680858
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680876
1-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680244
1-(3-chlorobenzoyl)-4-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42682013
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93150934
(3S,4R)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150856
3-(4-chlorophenyl)-4-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 68633022
(3S,4R)-N-benzyl-1-(2,4-dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 98421116
N-benzyl-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681662
1-benzoyl-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681657

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42826711) is N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is COc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CFCFNEGFMDCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-32-20-11-7-10-19(14-20)22-16-29(26(31)21-12-5-6-13-24(21)27)17-23(22)25(30)28-15-18-8-3-2-4-9-18/h2-14,22-23H,15-17H2,1H3,(H,28,30).
What are the key properties of N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(2-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-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42826711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).