4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide

C13H13ClFN3O — CID 107363420

IUPAC4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-2-18-7-10(16)6-12(18)13(19)17-11-4-8(14)3-9(15)5-11/h3-7H,2,16H2,1H3,(H,17,19)
InChIKeyHJIVJPPVGYDGHB-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.13
Rot. Bonds3

About 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 107363420) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID107363420
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-2-18-7-10(16)6-12(18)13(19)17-11-4-8(14)3-9(15)5-11/h3-7H,2,16H2,1H3,(H,17,19)
InChIKeyHJIVJPPVGYDGHB-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

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Related Compounds

4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
CID 116794605
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide (CID 107363420) is 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is HJIVJPPVGYDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-18-7-10(16)6-12(18)13(19)17-11-4-8(14)3-9(15)5-11/h3-7H,2,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(3-chloro-5-fluorophenyl)-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 4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 107363420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).