(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone

C17H10BrClO — CID 114970356

IUPAC(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H10BrClO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyUIHFOKQNIFAINT-UHFFFAOYSA-N
MW345.62 g/mol
LogP5.49
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone

(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone (PubChem CID 114970356) has the molecular formula C17H10BrClO and a molecular weight of 345.62 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
PubChem CID114970356
Molecular FormulaC17H10BrClO
Molecular Weight345.62 g/mol
Exact Mass343.96
IUPAC Name(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H10BrClO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyUIHFOKQNIFAINT-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
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(5-chlorofuran-2-yl)-naphthalen-2-ylmethanone
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[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
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CID 59235322
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
naphthalen-2-yl(phenyl)(113C)methanone
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(5-bromo-2-chlorophenyl)-[4-(3-oxabicyclo[3.1.0]hexan-6-yloxy)phenyl]methanone
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(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone (CID 114970356) is (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone?
The InChIKey is UIHFOKQNIFAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone?
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone has a molecular weight of 345.62 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 114970356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).