4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide

C14H19ClFN3O — CID 54228984

IUPAC4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide
SMILESCCN1CCCC1NC(=O)c1cc(F)c(N)c(Cl)c1C
InChIInChI=1S/C14H19ClFN3O/c1-3-19-6-4-5-11(19)18-14(20)9-7-10(16)13(17)12(15)8(9)2/h7,11H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyQHWHOXRFQXLSSL-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide

4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide (PubChem CID 54228984) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide
PubChem CID54228984
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide
SMILESCCN1CCCC1NC(=O)c1cc(F)c(N)c(Cl)c1C
InChIInChI=1S/C14H19ClFN3O/c1-3-19-6-4-5-11(19)18-14(20)9-7-10(16)13(17)12(15)8(9)2/h7,11H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyQHWHOXRFQXLSSL-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide?
The IUPAC name of 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide (CID 54228984) is 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide is CCN1CCCC1NC(=O)c1cc(F)c(N)c(Cl)c1C.
What is the InChIKey of 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide?
The InChIKey is QHWHOXRFQXLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-3-19-6-4-5-11(19)18-14(20)9-7-10(16)13(17)12(15)8(9)2/h7,11H,3-6,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide?
4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide has a molecular weight of 299.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1-ethylpyrrolidin-2-yl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 54228984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).