N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride

C12H14BrClF2N2O — CID 86780208

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Br)cc1F)C1(F)CCNC1
InChIInChI=1S/C12H13BrF2N2O.ClH/c13-9-2-1-8(10(14)5-9)6-17-11(18)12(15)3-4-16-7-12;/h1-2,5,16H,3-4,6-7H2,(H,17,18);1H
InChIKeyDNXWVHZIPATXNH-UHFFFAOYSA-N
MW355.61 g/mol
LogP2.33
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride

N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride (PubChem CID 86780208) has the molecular formula C12H14BrClF2N2O and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
PubChem CID86780208
Molecular FormulaC12H14BrClF2N2O
Molecular Weight355.61 g/mol
Exact Mass353.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Br)cc1F)C1(F)CCNC1
InChIInChI=1S/C12H13BrF2N2O.ClH/c13-9-2-1-8(10(14)5-9)6-17-11(18)12(15)3-4-16-7-12;/h1-2,5,16H,3-4,6-7H2,(H,17,18);1H
InChIKeyDNXWVHZIPATXNH-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;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-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 124707474
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 43438676

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride (CID 86780208) is N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Br)cc1F)C1(F)CCNC1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DNXWVHZIPATXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O.ClH/c13-9-2-1-8(10(14)5-9)6-17-11(18)12(15)3-4-16-7-12;/h1-2,5,16H,3-4,6-7H2,(H,17,18);1H.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 355.61 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 86780208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).