N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide

C25H21N3O3 — CID 155559698

IUPACN-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1N
InChIInChI=1S/C25H21N3O3/c1-27-25(30)22-15-21(12-13-23(22)26)31-20-10-8-19(9-11-20)28-24(29)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyHOLYWGUNGJZIDQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.83
Rot. Bonds5

About N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide

N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide (PubChem CID 155559698) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide
PubChem CID155559698
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1N
InChIInChI=1S/C25H21N3O3/c1-27-25(30)22-15-21(12-13-23(22)26)31-20-10-8-19(9-11-20)28-24(29)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyHOLYWGUNGJZIDQ-UHFFFAOYSA-N
XLogP4.83
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide (CID 155559698) is N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1N.
What is the InChIKey of N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide?
The InChIKey is HOLYWGUNGJZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-27-25(30)22-15-21(12-13-23(22)26)31-20-10-8-19(9-11-20)28-24(29)18-7-6-16-4-2-3-5-17(16)14-18/h2-15H,26H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide?
N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 155559698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).