N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

C14H16FN3O2 — CID 114610046

IUPACN-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-9-10(16)4-5-11(12)15/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyXZAUPHXCWUOZGE-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.11
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 114610046) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID114610046
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-9-10(16)4-5-11(12)15/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyXZAUPHXCWUOZGE-UHFFFAOYSA-N
XLogP2.11
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 114610046) is N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is XZAUPHXCWUOZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-9-10(16)4-5-11(12)15/h2-6,9H,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).