1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

C13H16Cl2N2O2 — CID 75438342

IUPAC1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-9(4-10(14)5-11(12)15)7-17-3-2-8(6-17)13(16)18/h4-5,8H,2-3,6-7H2,1H3,(H2,16,18)
InChIKeyVCXJETOZXWIRSV-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.31
Rot. Bonds4

About 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 75438342) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID75438342
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-9(4-10(14)5-11(12)15)7-17-3-2-8(6-17)13(16)18/h4-5,8H,2-3,6-7H2,1H3,(H2,16,18)
InChIKeyVCXJETOZXWIRSV-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2,5-dichloro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 97332108
(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155493220
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[(3S)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99936854
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
CID 97252909
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
N-[[1-[(5-chloro-2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56704279
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 75438342) is 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide is COc1c(Cl)cc(Cl)cc1CN1CCC(C(N)=O)C1.
What is the InChIKey of 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is VCXJETOZXWIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-19-12-9(4-10(14)5-11(12)15)7-17-3-2-8(6-17)13(16)18/h4-5,8H,2-3,6-7H2,1H3,(H2,16,18).
What are the key properties of 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 75438342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).