N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C13H16Cl2N2O2 — CID 78942370

IUPACN-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-4-3-9(6-12(11)15)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)/t10-/m0/s1
InChIKeyNAGMSFUYKCTGHE-JTQLQIEISA-N
MW303.19 g/mol
LogP2.39
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942370) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942370
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-4-3-9(6-12(11)15)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)/t10-/m0/s1
InChIKeyNAGMSFUYKCTGHE-JTQLQIEISA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942370) is N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1CO)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is NAGMSFUYKCTGHE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-4-3-9(6-12(11)15)16-13(19)7-17-5-1-2-10(17)8-18/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).