1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

C16H21ClN2O4 — CID 154761884

IUPAC1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C16H21ClN2O4/c1-18-15(21)16(10-22-2)5-4-6-19(16)14(20)11-7-12(17)9-13(8-11)23-3/h7-9H,4-6,10H2,1-3H3,(H,18,21)
InChIKeyKEVVZVKOQPWBRG-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.72
Rot. Bonds5

About 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 154761884) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID154761884
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C16H21ClN2O4/c1-18-15(21)16(10-22-2)5-4-6-19(16)14(20)11-7-12(17)9-13(8-11)23-3/h7-9H,4-6,10H2,1-3H3,(H,18,21)
InChIKeyKEVVZVKOQPWBRG-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 154796380
1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 126825078
1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 146140029
2-(methoxymethyl)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 154761342
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245714
2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide
CID 126825077
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880026
(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97128167
(3-chloro-5-methoxyphenyl)-[4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134708918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 154761884) is 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1(COC)CCCN1C(=O)c1cc(Cl)cc(OC)c1.
What is the InChIKey of 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KEVVZVKOQPWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-18-15(21)16(10-22-2)5-4-6-19(16)14(20)11-7-12(17)9-13(8-11)23-3/h7-9H,4-6,10H2,1-3H3,(H,18,21).
What are the key properties of 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxybenzoyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).