2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide

C19H21ClN2O2 — CID 87010464

IUPAC2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-14-6-4-7-15(12-14)21-19(23)22-11-5-10-18(22)16-8-2-3-9-17(16)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,23)
InChIKeyWIVOTNYPRPBKSF-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.86
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide

2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 87010464) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID87010464
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-24-13-14-6-4-7-15(12-14)21-19(23)22-11-5-10-18(22)16-8-2-3-9-17(16)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,23)
InChIKeyWIVOTNYPRPBKSF-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 87010445
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
CID 126839206
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839
methyl 2-[[2-(2-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50945778
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 87010464) is 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide is COCc1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WIVOTNYPRPBKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-13-14-6-4-7-15(12-14)21-19(23)22-11-5-10-18(22)16-8-2-3-9-17(16)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87010464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).