N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide

C17H17ClFN3O2 — CID 22057959

IUPACN-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide
SMILESNc1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C17H17ClFN3O2/c18-15-2-1-13(10-16(15)20)21-17(23)11-7-12(19)9-14(8-11)22-3-5-24-6-4-22/h1-2,7-10H,3-6,20H2,(H,21,23)
InChIKeyZPDJAKYDEKVRJM-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.15
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide

N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide (PubChem CID 22057959) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide
PubChem CID22057959
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide
SMILESNc1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C17H17ClFN3O2/c18-15-2-1-13(10-16(15)20)21-17(23)11-7-12(19)9-14(8-11)22-3-5-24-6-4-22/h1-2,7-10H,3-6,20H2,(H,21,23)
InChIKeyZPDJAKYDEKVRJM-UHFFFAOYSA-N
XLogP3.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide (CID 22057959) is N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide is Nc1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide?
The InChIKey is ZPDJAKYDEKVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-15-2-1-13(10-16(15)20)21-17(23)11-7-12(19)9-14(8-11)22-3-5-24-6-4-22/h1-2,7-10H,3-6,20H2,(H,21,23).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide?
N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide has a molecular weight of 349.79 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-fluoro-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 22057959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).