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

C15H17F2N3O — CID 62223456

IUPAC4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-2-5-20-9-12(18)7-14(20)15(21)19-8-10-3-4-11(16)6-13(10)17/h3-4,6-7,9H,2,5,8,18H2,1H3,(H,19,21)
InChIKeyYEYQUMMJIWBBOZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.69
Rot. Bonds5

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

4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 62223456) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID62223456
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O/c1-2-5-20-9-12(18)7-14(20)15(21)19-8-10-3-4-11(16)6-13(10)17/h3-4,6-7,9H,2,5,8,18H2,1H3,(H,19,21)
InChIKeyYEYQUMMJIWBBOZ-UHFFFAOYSA-N
XLogP2.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63793142
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 106368803
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 62223456) is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is YEYQUMMJIWBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-5-20-9-12(18)7-14(20)15(21)19-8-10-3-4-11(16)6-13(10)17/h3-4,6-7,9H,2,5,8,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 62223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).