(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate

C15H16BrFN2O2 — CID 61316048

IUPAC(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Br
InChIInChI=1S/C15H16BrFN2O2/c1-2-5-19-8-12(18)7-14(19)15(20)21-9-10-6-11(17)3-4-13(10)16/h3-4,6-8H,2,5,9,18H2,1H3
InChIKeyYAEYOZBNQAMRAZ-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.74
Rot. Bonds5

About (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate

(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 61316048) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID61316048
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Br
InChIInChI=1S/C15H16BrFN2O2/c1-2-5-19-8-12(18)7-14(19)15(20)21-9-10-6-11(17)3-4-13(10)16/h3-4,6-8H,2,5,9,18H2,1H3
InChIKeyYAEYOZBNQAMRAZ-UHFFFAOYSA-N
XLogP3.74
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 105374637
(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 102619606
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792
(5-bromo-3-pyridinyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 104808454
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
(2-bromo-5-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 63450673
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-O-[(2-bromo-5-fluorophenyl)methyl] 1-O-butyl benzene-1,2-dicarboxylate
CID 91720603

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (CID 61316048) is (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is YAEYOZBNQAMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-2-5-19-8-12(18)7-14(19)15(20)21-9-10-6-11(17)3-4-13(10)16/h3-4,6-8H,2,5,9,18H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 355.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 61316048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).