N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide

C22H20FN3O2 — CID 142178955

IUPACN-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(NC(=O)C2CCOC2)cc(F)c1N
InChIInChI=1S/C22H20FN3O2/c23-19-11-17(26-22(27)16-7-8-28-12-16)10-18(21(19)25)20(24)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11,16,24H,7-8,12,25H2,(H,26,27)/b24-20+
InChIKeyDCLUDOSBUBSCSA-HIXSDJFHSA-N
MW377.42 g/mol
LogP3.95
Rot. Bonds4

About N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide

N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide (PubChem CID 142178955) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide
PubChem CID142178955
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(NC(=O)C2CCOC2)cc(F)c1N
InChIInChI=1S/C22H20FN3O2/c23-19-11-17(26-22(27)16-7-8-28-12-16)10-18(21(19)25)20(24)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11,16,24H,7-8,12,25H2,(H,26,27)/b24-20+
InChIKeyDCLUDOSBUBSCSA-HIXSDJFHSA-N
XLogP3.95
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)-N-(2-oxooxolan-3-yl)benzamide
CID 142179279
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide (CID 142178955) is N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide is [H]/N=C(\c1ccc2ccccc2c1)c1cc(NC(=O)C2CCOC2)cc(F)c1N.
What is the InChIKey of N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide?
The InChIKey is DCLUDOSBUBSCSA-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-11-17(26-22(27)16-7-8-28-12-16)10-18(21(19)25)20(24)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11,16,24H,7-8,12,25H2,(H,26,27)/b24-20+.
What are the key properties of N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide?
N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 142178955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).