(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate

C14H14ClFN2O2 — CID 115984103

IUPAC(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1cccc(F)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c1-2-18-7-10(17)6-12(18)14(19)20-8-9-4-3-5-11(16)13(9)15/h3-7H,2,8,17H2,1H3
InChIKeyZIPWSFCBOVMSMY-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.24
Rot. Bonds4

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

(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 115984103) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID115984103
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OCc1cccc(F)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c1-2-18-7-10(17)6-12(18)14(19)20-8-9-4-3-5-11(16)13(9)15/h3-7H,2,8,17H2,1H3
InChIKeyZIPWSFCBOVMSMY-UHFFFAOYSA-N
XLogP3.24
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate 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

(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315853
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 102619606
(2-chloro-3-fluorophenyl)methyl 2-amino-4,5-difluorobenzoate
CID 115984109
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
(2-chloro-3-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 115984102
(2-chloro-3-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 115984089
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792
(2,2-difluoro-2-phenylethyl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 116790275
(4-chloro-2-fluorophenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 114857719

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 115984103) is (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OCc1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is ZIPWSFCBOVMSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-2-18-7-10(17)6-12(18)14(19)20-8-9-4-3-5-11(16)13(9)15/h3-7H,2,8,17H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate?
(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 296.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 115984103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).