N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride

C13H17ClF2N2O2 — CID 119786762

IUPACN-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCNC2)cc1OC(F)F.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-8-2-3-10(6-11(8)19-13(14)15)17-12(18)9-4-5-16-7-9;/h2-3,6,9,13,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyHOEDTOJAMGANLM-UHFFFAOYSA-N
MW306.74 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119786762) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119786762
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC NameN-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCNC2)cc1OC(F)F.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-8-2-3-10(6-11(8)19-13(14)15)17-12(18)9-4-5-16-7-9;/h2-3,6,9,13,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyHOEDTOJAMGANLM-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119786762) is N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCNC2)cc1OC(F)F.Cl.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HOEDTOJAMGANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2.ClH/c1-8-2-3-10(6-11(8)19-13(14)15)17-12(18)9-4-5-16-7-9;/h2-3,6,9,13,16H,4-5,7H2,1H3,(H,17,18);1H.
What are the key properties of N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 306.74 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119786762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).