4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide

C15H18FN3O — CID 43643225

IUPAC4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H18FN3O/c1-2-6-19-10-13(17)8-14(19)15(20)18-9-11-4-3-5-12(16)7-11/h3-5,7-8,10H,2,6,9,17H2,1H3,(H,18,20)
InChIKeyMEZXJLHLBPVSLK-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 43643225) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID43643225
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H18FN3O/c1-2-6-19-10-13(17)8-14(19)15(20)18-9-11-4-3-5-12(16)7-11/h3-5,7-8,10H,2,6,9,17H2,1H3,(H,18,20)
InChIKeyMEZXJLHLBPVSLK-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 55081690
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 43643225) is 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is MEZXJLHLBPVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-6-19-10-13(17)8-14(19)15(20)18-9-11-4-3-5-12(16)7-11/h3-5,7-8,10H,2,6,9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43643225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).