4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H18FN3O — CID 43643166

IUPAC4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cn2C(C)C)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-9(2)19-8-11(17)7-14(19)15(20)18-13-5-4-10(3)6-12(13)16/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyPDBIZOIYGDKTQZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.35
Rot. Bonds3

About 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43643166) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43643166
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cn2C(C)C)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-9(2)19-8-11(17)7-14(19)15(20)18-13-5-4-10(3)6-12(13)16/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyPDBIZOIYGDKTQZ-UHFFFAOYSA-N
XLogP3.35
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133
5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 122171424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43643166) is 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(N)cn2C(C)C)c(F)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PDBIZOIYGDKTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(2)19-8-11(17)7-14(19)15(20)18-13-5-4-10(3)6-12(13)16/h4-9H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).