4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H15ClFN3O — CID 43643581

IUPAC4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN3O/c1-8(2)19-7-10(17)6-13(19)14(20)18-12-5-9(15)3-4-11(12)16/h3-8H,17H2,1-2H3,(H,18,20)
InChIKeyRKXQVNJKCJHHBT-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.70
Rot. Bonds3

About 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43643581) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43643581
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN3O/c1-8(2)19-7-10(17)6-13(19)14(20)18-12-5-9(15)3-4-11(12)16/h3-8H,17H2,1-2H3,(H,18,20)
InChIKeyRKXQVNJKCJHHBT-UHFFFAOYSA-N
XLogP3.70
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-amino-N-(2,6-dichloro-4-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83077744
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 66254121
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
CID 23162526
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43643581) is 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is RKXQVNJKCJHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(2)19-7-10(17)6-13(19)14(20)18-12-5-9(15)3-4-11(12)16/h3-8H,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).