N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C12H15Cl3N2O — CID 119670891

IUPACN-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c1-12(4-5-15-7-12)11(17)16-8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3,(H,16,17);1H
InChIKeyUGUCXGVCQHISDD-UHFFFAOYSA-N
MW309.62 g/mol
LogP3.35
Rot. Bonds2

About N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670891) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670891
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC NameN-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c1-12(4-5-15-7-12)11(17)16-8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3,(H,16,17);1H
InChIKeyUGUCXGVCQHISDD-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
CID 63140289
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119670891) is N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCNC1.Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is UGUCXGVCQHISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O.ClH/c1-12(4-5-15-7-12)11(17)16-8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3,(H,16,17);1H.
What are the key properties of N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 309.62 g/mol, XLogP of 3.35, 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)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).