N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide

C25H20FN3O2 — CID 71478084

IUPACN-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H20FN3O2/c26-19-12-13-22(27)23(14-19)29-24(30)18-10-8-16(9-11-18)15-28-25(31)21-7-3-5-17-4-1-2-6-20(17)21/h1-14H,15,27H2,(H,28,31)(H,29,30)
InChIKeyNPXNZBRXWZAORW-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.74
Rot. Bonds5

About N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide

N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 71478084) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
PubChem CID71478084
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC NameN-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H20FN3O2/c26-19-12-13-22(27)23(14-19)29-24(30)18-10-8-16(9-11-18)15-28-25(31)21-7-3-5-17-4-1-2-6-20(17)21/h1-14H,15,27H2,(H,28,31)(H,29,30)
InChIKeyNPXNZBRXWZAORW-UHFFFAOYSA-N
XLogP4.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 161179981
N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide
CID 68846360
N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
CID 160852320
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
N-(2-amino-5-fluorophenyl)-4-[(1-pyridin-3-ylethylcarbamoylamino)methyl]benzamide
CID 59932620
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide (CID 71478084) is N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide is Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is NPXNZBRXWZAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c26-19-12-13-22(27)23(14-19)29-24(30)18-10-8-16(9-11-18)15-28-25(31)21-7-3-5-17-4-1-2-6-20(17)21/h1-14H,15,27H2,(H,28,31)(H,29,30).
What are the key properties of N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 71478084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).