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

C13H15ClF2N2O2 — CID 71985278

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)C1CCCN1
InChIInChI=1S/C13H15ClF2N2O2/c14-9-3-4-11(20-13(15)16)8(6-9)7-18-12(19)10-2-1-5-17-10/h3-4,6,10,13,17H,1-2,5,7H2,(H,18,19)
InChIKeyBUMRRMIAOMRKPZ-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.31
Rot. Bonds5

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

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 71985278) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID71985278
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)C1CCCN1
InChIInChI=1S/C13H15ClF2N2O2/c14-9-3-4-11(20-13(15)16)8(6-9)7-18-12(19)10-2-1-5-17-10/h3-4,6,10,13,17H,1-2,5,7H2,(H,18,19)
InChIKeyBUMRRMIAOMRKPZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
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-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
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
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
(2S)-N-[[5-chloro-2-[2,2-difluoro-2-(4-methoxyanilino)ethyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 70072196

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 71985278) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCCN1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BUMRRMIAOMRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c14-9-3-4-11(20-13(15)16)8(6-9)7-18-12(19)10-2-1-5-17-10/h3-4,6,10,13,17H,1-2,5,7H2,(H,18,19).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 304.72 g/mol, XLogP of 2.31, 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-2-carboxamide is sourced from PubChem (CID 71985278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).