N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H20BrFN2O — CID 106981313

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(F)cc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H20BrFN2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-7-12(17)11(16)6-10(13)3/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyAJPWXYIAAFPSQP-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.47
Rot. Bonds3

About N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981313) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981313
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(F)cc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H20BrFN2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-7-12(17)11(16)6-10(13)3/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyAJPWXYIAAFPSQP-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981313) is N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(Br)c(F)cc1NC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AJPWXYIAAFPSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-7-12(17)11(16)6-10(13)3/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).