(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

C14H15ClN2O2 — CID 61315287

IUPAC(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-4-3-5-11(15)6-10/h3-8H,2,9,16H2,1H3
InChIKeyDBJZILASWZUJLG-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.10
Rot. Bonds4

About (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61315287) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61315287
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-4-3-5-11(15)6-10/h3-8H,2,9,16H2,1H3
InChIKeyDBJZILASWZUJLG-UHFFFAOYSA-N
XLogP3.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 61111186
(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 115984103
(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315853
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
(3-chlorophenyl)methyl 5-amino-1-ethyl-6-oxopyridazine-3-carboxylate
CID 67242146
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 61315287) is (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is DBJZILASWZUJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17-8-12(16)7-13(17)14(18)19-9-10-4-3-5-11(15)6-10/h3-8H,2,9,16H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61315287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).