4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide

C14H15F2N3O — CID 63793724

IUPAC4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-2-19-8-11(17)6-13(19)14(20)18-7-9-5-10(15)3-4-12(9)16/h3-6,8H,2,7,17H2,1H3,(H,18,20)
InChIKeyCNPSXRILDGCBRG-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide

4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 63793724) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
PubChem CID63793724
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-2-19-8-11(17)6-13(19)14(20)18-7-9-5-10(15)3-4-12(9)16/h3-6,8H,2,7,17H2,1H3,(H,18,20)
InChIKeyCNPSXRILDGCBRG-UHFFFAOYSA-N
XLogP2.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 43642709
4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63793142
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide (CID 63793724) is 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is CNPSXRILDGCBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-19-8-11(17)6-13(19)14(20)18-7-9-5-10(15)3-4-12(9)16/h3-6,8H,2,7,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 63793724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).