N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C13H16Cl2F2N2O2 — CID 119813987

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCNC1
InChIInChI=1S/C13H15ClF2N2O2.ClH/c14-10-1-2-11(20-13(15)16)9(5-10)7-18-12(19)8-3-4-17-6-8;/h1-2,5,8,13,17H,3-4,6-7H2,(H,18,19);1H
InChIKeyAFWGNRDDNGXNML-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.59
Rot. Bonds5

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119813987) has the molecular formula C13H16Cl2F2N2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119813987
Molecular FormulaC13H16Cl2F2N2O2
Molecular Weight341.19 g/mol
Exact Mass340.06
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCNC1
InChIInChI=1S/C13H15ClF2N2O2.ClH/c14-10-1-2-11(20-13(15)16)9(5-10)7-18-12(19)8-3-4-17-6-8;/h1-2,5,8,13,17H,3-4,6-7H2,(H,18,19);1H
InChIKeyAFWGNRDDNGXNML-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
CID 134068694
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119340940
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119813987) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCNC1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AFWGNRDDNGXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2.ClH/c14-10-1-2-11(20-13(15)16)9(5-10)7-18-12(19)8-3-4-17-6-8;/h1-2,5,8,13,17H,3-4,6-7H2,(H,18,19);1H.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 341.19 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119813987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).