1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C27H29ClN2O2 — CID 134797326

IUPAC1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN1Cc1cccc(-c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C27H29ClN2O2/c1-19-12-13-22(16-24(19)28)21-9-5-7-20(15-21)18-30-14-6-10-25(30)27(31)29-17-23-8-3-4-11-26(23)32-2/h3-5,7-9,11-13,15-16,25H,6,10,14,17-18H2,1-2H3,(H,29,31)
InChIKeyNFLANCASGAOURD-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.60
Rot. Bonds7

About 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 134797326) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID134797326
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN1Cc1cccc(-c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C27H29ClN2O2/c1-19-12-13-22(16-24(19)28)21-9-5-7-20(15-21)18-30-14-6-10-25(30)27(31)29-17-23-8-3-4-11-26(23)32-2/h3-5,7-9,11-13,15-16,25H,6,10,14,17-18H2,1-2H3,(H,29,31)
InChIKeyNFLANCASGAOURD-UHFFFAOYSA-N
XLogP5.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 134799361
N-[(4-chlorophenyl)methyl]-1-[[3-(3-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134800440
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088
(2S)-N-[(2-methoxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30389661
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 134797326) is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1CCCN1Cc1cccc(-c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NFLANCASGAOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-19-12-13-22(16-24(19)28)21-9-5-7-20(15-21)18-30-14-6-10-25(30)27(31)29-17-23-8-3-4-11-26(23)32-2/h3-5,7-9,11-13,15-16,25H,6,10,14,17-18H2,1-2H3,(H,29,31).
What are the key properties of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 448.99 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134797326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).