N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide

C17H18FN3O2 — CID 89183177

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-15(19)16(11-13)20-17(22)21-7-9-23-10-8-21/h1-6,11H,7-10,19H2,(H,20,22)
InChIKeyISDWDTRBQFDROY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.94
Rot. Bonds2

About N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide (PubChem CID 89183177) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide
PubChem CID89183177
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-15(19)16(11-13)20-17(22)21-7-9-23-10-8-21/h1-6,11H,7-10,19H2,(H,20,22)
InChIKeyISDWDTRBQFDROY-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 116583
CID 116583
CID 669753
CID 669753
CID 4439884
CID 4439884
CID 790704
CID 790704
CID 16202915
CID 16202915
CID 732316
CID 732316
CID 972608
CID 972608
CID 2880620
CID 2880620
CID 330452
CID 330452
CID 651814
CID 651814
CID 10151095
CID 10151095
CID 11710181
CID 11710181

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide (CID 89183177) is N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide?
The InChIKey is ISDWDTRBQFDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-15(19)16(11-13)20-17(22)21-7-9-23-10-8-21/h1-6,11H,7-10,19H2,(H,20,22).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 89183177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).