N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C13H17ClFN3O2 — CID 119727613

IUPACN-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cc(C(N)=O)ccc2F)CCNC1.Cl
InChIInChI=1S/C13H16FN3O2.ClH/c1-13(4-5-16-7-13)12(19)17-10-6-8(11(15)18)2-3-9(10)14;/h2-3,6,16H,4-5,7H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyDQCVATKALYFMAQ-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.28
Rot. Bonds3

About N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119727613) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119727613
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC NameN-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cc(C(N)=O)ccc2F)CCNC1.Cl
InChIInChI=1S/C13H16FN3O2.ClH/c1-13(4-5-16-7-13)12(19)17-10-6-8(11(15)18)2-3-9(10)14;/h2-3,6,16H,4-5,7H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyDQCVATKALYFMAQ-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide
CID 63141530
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
4-fluoro-3-[(1-methylcyclobutanecarbonyl)amino]benzoic acid
CID 120530218
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119727613) is N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2cc(C(N)=O)ccc2F)CCNC1.Cl.
What is the InChIKey of N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DQCVATKALYFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2.ClH/c1-13(4-5-16-7-13)12(19)17-10-6-8(11(15)18)2-3-9(10)14;/h2-3,6,16H,4-5,7H2,1H3,(H2,15,18)(H,17,19);1H.
What are the key properties of N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 301.75 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119727613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).