N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C11H13Cl2F2N3O — CID 120955436

IUPACN-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cn1)C1CC(F)(F)CN1
InChIInChI=1S/C11H12ClF2N3O.ClH/c12-7-1-2-8(15-4-7)5-16-10(18)9-3-11(13,14)6-17-9;/h1-2,4,9,17H,3,5-6H2,(H,16,18);1H
InChIKeyFHRPWVGJHIQESB-UHFFFAOYSA-N
MW312.15 g/mol
LogP1.77
Rot. Bonds3

About N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955436) has the molecular formula C11H13Cl2F2N3O and a molecular weight of 312.15 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955436
Molecular FormulaC11H13Cl2F2N3O
Molecular Weight312.15 g/mol
Exact Mass311.04
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cn1)C1CC(F)(F)CN1
InChIInChI=1S/C11H12ClF2N3O.ClH/c12-7-1-2-8(15-4-7)5-16-10(18)9-3-11(13,14)6-17-9;/h1-2,4,9,17H,3,5-6H2,(H,16,18);1H
InChIKeyFHRPWVGJHIQESB-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955430
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955458
(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129468678
9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994031
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955326
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120954955
4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955206
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 120955108
(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 155295075
4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955356

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 120955436) is N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cl)cn1)C1CC(F)(F)CN1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FHRPWVGJHIQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O.ClH/c12-7-1-2-8(15-4-7)5-16-10(18)9-3-11(13,14)6-17-9;/h1-2,4,9,17H,3,5-6H2,(H,16,18);1H.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 312.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).