(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

C14H18Cl2N2O2 — CID 72929137

IUPAC(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9-11(15)5-6-12(13(9)16)17-14(19)18-7-3-4-10(18)8-20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyBJZIGBXDLZLIRF-JTQLQIEISA-N
MW317.22 g/mol
LogP3.94
Rot. Bonds3

About (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 72929137) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID72929137
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9-11(15)5-6-12(13(9)16)17-14(19)18-7-3-4-10(18)8-20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyBJZIGBXDLZLIRF-JTQLQIEISA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773
(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
CID 97436050
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(2S)-N-[2-ethyl-5-(1,2,4-triazol-4-yl)phenyl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72846407
(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72886878
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
ethyl 2-chloro-5-[[2-(ethoxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 72911921
(2S)-N-(3,5-dichloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116955
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (CID 72929137) is (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl.
What is the InChIKey of (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is BJZIGBXDLZLIRF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9-11(15)5-6-12(13(9)16)17-14(19)18-7-3-4-10(18)8-20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72929137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).