2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide

C19H13BrFNO2 — CID 10068697

IUPAC2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide
SMILESO=C(CBr)Nc1cc2ccccc2cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H13BrFNO2/c20-11-18(23)22-17-10-13-6-2-1-5-12(13)9-15(17)19(24)14-7-3-4-8-16(14)21/h1-10H,11H2,(H,22,23)
InChIKeyIECWKDGDGLUVNX-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.54
Rot. Bonds4

About 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide

2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide (PubChem CID 10068697) has the molecular formula C19H13BrFNO2 and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide
PubChem CID10068697
Molecular FormulaC19H13BrFNO2
Molecular Weight386.22 g/mol
Exact Mass385.01
IUPAC Name2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide
SMILESO=C(CBr)Nc1cc2ccccc2cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H13BrFNO2/c20-11-18(23)22-17-10-13-6-2-1-5-12(13)9-15(17)19(24)14-7-3-4-8-16(14)21/h1-10H,11H2,(H,22,23)
InChIKeyIECWKDGDGLUVNX-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
2-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
CID 4010326
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
2-bromo-N-(2,4,5-trifluorophenyl)acetamide
CID 63678606
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide
CID 22708162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide (CID 10068697) is 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide is O=C(CBr)Nc1cc2ccccc2cc1C(=O)c1ccccc1F.
What is the InChIKey of 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide?
The InChIKey is IECWKDGDGLUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO2/c20-11-18(23)22-17-10-13-6-2-1-5-12(13)9-15(17)19(24)14-7-3-4-8-16(14)21/h1-10H,11H2,(H,22,23).
What are the key properties of 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide?
2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide has a molecular weight of 386.22 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide is sourced from PubChem (CID 10068697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).