N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide

C13H16Cl2N2O2 — CID 102785989

IUPACN-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1CO
InChIInChI=1S/C13H16Cl2N2O2/c1-8-4-5-17(12(8)7-18)13(19)16-9-2-3-10(14)11(15)6-9/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,16,19)
InChIKeyMXOLNYYCCAAIAW-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.23
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide

N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 102785989) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID102785989
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1CO
InChIInChI=1S/C13H16Cl2N2O2/c1-8-4-5-17(12(8)7-18)13(19)16-9-2-3-10(14)11(15)6-9/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,16,19)
InChIKeyMXOLNYYCCAAIAW-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
CID 102786021
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 102786005
(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
N-(4-acetamido-3-methoxyphenyl)-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 75392629
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide (CID 102785989) is N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1CO.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is MXOLNYYCCAAIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8-4-5-17(12(8)7-18)13(19)16-9-2-3-10(14)11(15)6-9/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,16,19).
What are the key properties of N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102785989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).