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

C13H13ClFN3O — CID 43639503

IUPACN-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H13ClFN3O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2,16H2,1H3,(H,17,19)
InChIKeyDQNZDSVJSYFRMR-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.13
Rot. Bonds3

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

N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 43639503) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID43639503
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC NameN-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H13ClFN3O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2,16H2,1H3,(H,17,19)
InChIKeyDQNZDSVJSYFRMR-UHFFFAOYSA-N
XLogP3.13
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 114051836
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 146106273
N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610046
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 43639503) is N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is DQNZDSVJSYFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 281.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).