(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H17ClF2N2O2 — CID 119271349

IUPAC(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H16F2N2O2.ClH/c14-13(15)19-10-5-3-9(4-6-10)8-17-12(18)11-2-1-7-16-11;/h3-6,11,13,16H,1-2,7-8H2,(H,17,18);1H/t11-;/m0./s1
InChIKeyAMTHCDDNTBAUSJ-MERQFXBCSA-N
MW306.74 g/mol
LogP2.08
Rot. Bonds5

About (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119271349) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119271349
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Name(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H16F2N2O2.ClH/c14-13(15)19-10-5-3-9(4-6-10)8-17-12(18)11-2-1-7-16-11;/h3-6,11,13,16H,1-2,7-8H2,(H,17,18);1H/t11-;/m0./s1
InChIKeyAMTHCDDNTBAUSJ-MERQFXBCSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119271349) is (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AMTHCDDNTBAUSJ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H16F2N2O2.ClH/c14-13(15)19-10-5-3-9(4-6-10)8-17-12(18)11-2-1-7-16-11;/h3-6,11,13,16H,1-2,7-8H2,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 306.74 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119271349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).