N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide

C26H21FN2O2 — CID 161179981

IUPACN-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21FN2O2/c27-22-12-13-23(28)24(16-22)29-26(31)19-8-5-17(6-9-19)7-14-25(30)21-11-10-18-3-1-2-4-20(18)15-21/h1-6,8-13,15-16H,7,14,28H2,(H,29,31)
InChIKeyYHYYGAAQSBKBNJ-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.63
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide

N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide (PubChem CID 161179981) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
PubChem CID161179981
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC NameN-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21FN2O2/c27-22-12-13-23(28)24(16-22)29-26(31)19-8-5-17(6-9-19)7-14-25(30)21-11-10-18-3-1-2-4-20(18)15-21/h1-6,8-13,15-16H,7,14,28H2,(H,29,31)
InChIKeyYHYYGAAQSBKBNJ-UHFFFAOYSA-N
XLogP5.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.63
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

T-226296
CID 9865843
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 532199
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
1-Phenethylamino-3H-naphtho(1,2,3-de)quinoline-2,7-dione
CID 1080352
N-(2-aminophenyl)-4-(1-{2-[(2-fluorophenyl)carbamoyl]ethyl}piperidin-4-yl)benzamide
CID 25023856
N-(4-amino-4''-fluorobiphenyl-3-yl)benzamide
CID 46830345
3-fluoro-N-(2-naphthyl)benzamide
CID 310541
N-(2-carbamoylphenyl)naphthalene-2-carboxamide
CID 787689
N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7096327
4-fluoro-N-(naphthalen-1-yl)benzamide
CID 579459
N-(2-(Benzoylamino)phenyl)benzamide
CID 231860

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide (CID 161179981) is N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The InChIKey is YHYYGAAQSBKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c27-22-12-13-23(28)24(16-22)29-26(31)19-8-5-17(6-9-19)7-14-25(30)21-11-10-18-3-1-2-4-20(18)15-21/h1-6,8-13,15-16H,7,14,28H2,(H,29,31).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide has a molecular weight of 412.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 161179981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).