N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride

C11H13Cl2FN2O — CID 119281092

IUPACN-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(F)c1)C1CCCN1
InChIInChI=1S/C11H12ClFN2O.ClH/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10;/h3-4,6,10,14H,1-2,5H2,(H,15,16);1H
InChIKeyRLNVRRLJGZZCEA-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.59
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119281092) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119281092
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC NameN-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(F)c1)C1CCCN1
InChIInChI=1S/C11H12ClFN2O.ClH/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10;/h3-4,6,10,14H,1-2,5H2,(H,15,16);1H
InChIKeyRLNVRRLJGZZCEA-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119281092) is N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)c(F)c1)C1CCCN1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RLNVRRLJGZZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O.ClH/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10;/h3-4,6,10,14H,1-2,5H2,(H,15,16);1H.
What are the key properties of N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 279.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119281092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).