(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone

C17H9Cl2FO — CID 79591394

IUPAC(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H9Cl2FO/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(20)9-16(14)19/h1-9H
InChIKeyNUQWDSNHHSOQTR-UHFFFAOYSA-N
MW319.16 g/mol
LogP5.52
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone

(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone (PubChem CID 79591394) has the molecular formula C17H9Cl2FO and a molecular weight of 319.16 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
PubChem CID79591394
Molecular FormulaC17H9Cl2FO
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H9Cl2FO/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(20)9-16(14)19/h1-9H
InChIKeyNUQWDSNHHSOQTR-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.16
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
CID 103513654
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79593248
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601820
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone (CID 79591394) is (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone is O=C(c1ccc(F)cc1Cl)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
The InChIKey is NUQWDSNHHSOQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2FO/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(20)9-16(14)19/h1-9H.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone has a molecular weight of 319.16 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone is sourced from PubChem (CID 79591394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).