N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C19H28ClF2N3O3 — CID 119655035

IUPACN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN1C(=O)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C19H27F2N3O3.ClH/c1-19(2,11-22)12-23(3)17(26)14-8-6-10-24(14)16(25)13-7-4-5-9-15(13)27-18(20)21;/h4-5,7,9,14,18H,6,8,10-12,22H2,1-3H3;1H
InChIKeyAPNQIIGZJMHREN-UHFFFAOYSA-N
MW419.90 g/mol
LogP2.76
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119655035) has the molecular formula C19H28ClF2N3O3 and a molecular weight of 419.90 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119655035
Molecular FormulaC19H28ClF2N3O3
Molecular Weight419.90 g/mol
Exact Mass419.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN1C(=O)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C19H27F2N3O3.ClH/c1-19(2,11-22)12-23(3)17(26)14-8-6-10-24(14)16(25)13-7-4-5-9-15(13)27-18(20)21;/h4-5,7,9,14,18H,6,8,10-12,22H2,1-3H3;1H
InChIKeyAPNQIIGZJMHREN-UHFFFAOYSA-N
XLogP2.76
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
4-[[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]-methylamino]butanoic acid
CID 119173387
N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119654596
1-[2-(difluoromethoxy)benzoyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)pyrrolidine-2-carboxamide
CID 86900009
1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
1-[2-(difluoromethoxy)benzoyl]-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 120830326
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119477060
[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119655035) is N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1CCCN1C(=O)c1ccccc1OC(F)F.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is APNQIIGZJMHREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3.ClH/c1-19(2,11-22)12-23(3)17(26)14-8-6-10-24(14)16(25)13-7-4-5-9-15(13)27-18(20)21;/h4-5,7,9,14,18H,6,8,10-12,22H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 419.90 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).