4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide

C22H18FN3O3 — CID 142179279

IUPAC4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(C(=O)NC2CCOC2=O)cc(F)c1N
InChIInChI=1S/C22H18FN3O3/c23-17-11-15(21(27)26-18-7-8-29-22(18)28)10-16(20(17)25)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-11,18,24H,7-8,25H2,(H,26,27)/b24-19+
InChIKeyALPYCSGPHWVKNB-LYBHJNIJSA-N
MW391.40 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide

4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide (PubChem CID 142179279) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide
PubChem CID142179279
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(C(=O)NC2CCOC2=O)cc(F)c1N
InChIInChI=1S/C22H18FN3O3/c23-17-11-15(21(27)26-18-7-8-29-22(18)28)10-16(20(17)25)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-11,18,24H,7-8,25H2,(H,26,27)/b24-19+
InChIKeyALPYCSGPHWVKNB-LYBHJNIJSA-N
XLogP3.02
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide (CID 142179279) is 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide is [H]/N=C(\c1ccc2ccccc2c1)c1cc(C(=O)NC2CCOC2=O)cc(F)c1N.
What is the InChIKey of 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide?
The InChIKey is ALPYCSGPHWVKNB-LYBHJNIJSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-17-11-15(21(27)26-18-7-8-29-22(18)28)10-16(20(17)25)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-11,18,24H,7-8,25H2,(H,26,27)/b24-19+.
What are the key properties of 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide?
4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide has a molecular weight of 391.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide is sourced from PubChem (CID 142179279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).