N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide

C12H14Cl2N2O — CID 110864208

IUPACN-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O/c1-16-3-2-8(7-16)12(17)15-11-5-9(13)4-10(14)6-11/h4-6,8H,2-3,7H2,1H3,(H,15,17)
InChIKeyXDQWNAWUFPJDRM-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.88
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide

N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 110864208) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID110864208
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O/c1-16-3-2-8(7-16)12(17)15-11-5-9(13)4-10(14)6-11/h4-6,8H,2-3,7H2,1H3,(H,15,17)
InChIKeyXDQWNAWUFPJDRM-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513205
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide (CID 110864208) is N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is XDQWNAWUFPJDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-16-3-2-8(7-16)12(17)15-11-5-9(13)4-10(14)6-11/h4-6,8H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide?
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110864208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).