4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide

C15H18FN3O — CID 43642709

IUPAC4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-2-19-10-13(17)9-14(19)15(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,2,7-8,17H2,1H3,(H,18,20)
InChIKeyZWBMTRCBLIFIIR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.20
Rot. Bonds5

About 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 43642709) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
PubChem CID43642709
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-2-19-10-13(17)9-14(19)15(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,2,7-8,17H2,1H3,(H,18,20)
InChIKeyZWBMTRCBLIFIIR-UHFFFAOYSA-N
XLogP2.20
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide 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

4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 61111186
4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 114182801
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide (CID 43642709) is 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is ZWBMTRCBLIFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-19-10-13(17)9-14(19)15(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,2,7-8,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43642709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).