3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C14H19ClF2N2O — CID 119513358

IUPAC3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(F)ccc1F)NCC1CCCN1
InChIInChI=1S/C14H18F2N2O.ClH/c15-11-4-5-13(16)10(8-11)3-6-14(19)18-9-12-2-1-7-17-12;/h4-5,8,12,17H,1-3,6-7,9H2,(H,18,19);1H
InChIKeyJNIMUENYBGOVRG-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.19
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119513358) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119513358
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(F)ccc1F)NCC1CCCN1
InChIInChI=1S/C14H18F2N2O.ClH/c15-11-4-5-13(16)10(8-11)3-6-14(19)18-9-12-2-1-7-17-12;/h4-5,8,12,17H,1-3,6-7,9H2,(H,18,19);1H
InChIKeyJNIMUENYBGOVRG-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride 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-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
1-(azepan-2-ylmethyl)-3-(2,5-difluorophenyl)urea;hydrochloride
CID 154900952
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512967
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119513358) is 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1cc(F)ccc1F)NCC1CCCN1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is JNIMUENYBGOVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-11-4-5-13(16)10(8-11)3-6-14(19)18-9-12-2-1-7-17-12;/h4-5,8,12,17H,1-3,6-7,9H2,(H,18,19);1H.
What are the key properties of 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119513358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).