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

C15H16ClFN2O2 — CID 102619606

IUPAC(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O2/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
InChIKeyKLNJWHNJGKMAFF-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.63
Rot. Bonds5

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

(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 102619606) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID102619606
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O2/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
InChIKeyKLNJWHNJGKMAFF-UHFFFAOYSA-N
XLogP3.63
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-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

(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 105374637
(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61316048
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
(2-chloro-3-fluorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 115984103
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
(4-chloro-2-fluorophenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 114857719
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (CID 102619606) is (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is KLNJWHNJGKMAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/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-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 310.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 102619606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).