(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

C14H15BrN2O2 — CID 61314717

IUPAC(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3
InChIKeyWUFDIOUVJHOFDF-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.21
Rot. Bonds4

About (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61314717) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61314717
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3
InChIKeyWUFDIOUVJHOFDF-UHFFFAOYSA-N
XLogP3.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315853
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
(5-bromo-3-pyridinyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 104808454
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 115984103
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 61314717) is (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is WUFDIOUVJHOFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3.
What are the key properties of (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 323.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61314717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).