4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

C14H19ClF2N2O2 — CID 120955356

IUPAC4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C2CC(F)(F)CN2)cc1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-7-20-11-5-3-10(4-6-11)18-13(19)12-8-14(15,16)9-17-12;/h3-6,12,17H,2,7-9H2,1H3,(H,18,19);1H
InChIKeyRSKHEAGUORBKSN-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.83
Rot. Bonds5

About 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955356) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955356
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C2CC(F)(F)CN2)cc1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-7-20-11-5-3-10(4-6-11)18-13(19)12-8-14(15,16)9-17-12;/h3-6,12,17H,2,7-9H2,1H3,(H,18,19);1H
InChIKeyRSKHEAGUORBKSN-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
6-methyl-N-(4-propoxyphenyl)piperidine-2-carboxamide
CID 54855992
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119841209
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119841210
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120955356) is 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is CCCOc1ccc(NC(=O)C2CC(F)(F)CN2)cc1.Cl.
What is the InChIKey of 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RSKHEAGUORBKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-2-7-20-11-5-3-10(4-6-11)18-13(19)12-8-14(15,16)9-17-12;/h3-6,12,17H,2,7-9H2,1H3,(H,18,19);1H.
What are the key properties of 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).