4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide

C15H18FN3O — CID 43642423

IUPAC4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C15H18FN3O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6,17H2,1-2H3,(H,18,20)
InChIKeyXROBDZUCGBAEPS-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.18
Rot. Bonds4

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

4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43642423) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43642423
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C15H18FN3O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6,17H2,1-2H3,(H,18,20)
InChIKeyXROBDZUCGBAEPS-UHFFFAOYSA-N
XLogP3.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 105374637
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 79234677
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 65489271
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide (CID 43642423) is 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is XROBDZUCGBAEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43642423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).