(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone

C14H9ClFNO3 — CID 177201657

IUPAC(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClFNO3/c1-8-2-3-9(6-13(8)17(19)20)14(18)11-7-10(16)4-5-12(11)15/h2-7H,1H3
InChIKeyJTAZKDKDCPNBPH-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.93
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone

(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone (PubChem CID 177201657) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
PubChem CID177201657
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClFNO3/c1-8-2-3-9(6-13(8)17(19)20)14(18)11-7-10(16)4-5-12(11)15/h2-7H,1H3
InChIKeyJTAZKDKDCPNBPH-UHFFFAOYSA-N
XLogP3.93
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
(2,4-dimethylphenyl)-(4-methyl-3-nitrophenyl)methanone
CID 886134
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
1-[4-(2-chloro-4-fluorophenyl)-3-nitrophenyl]ethanone
CID 21406810
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
ethane;4-methyl-3-nitrobenzamide
CID 143806264
2-[4-(4-fluorobenzoyl)phenoxy]-1-(4-methyl-3-nitrophenyl)ethanone
CID 7795147
2-(3-fluorophenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079539
2-chloro-5-fluoro-N-[(4-methyl-3-nitrophenyl)methyl]aniline
CID 107527402
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone (CID 177201657) is (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone is Cc1ccc(C(=O)c2cc(F)ccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone?
The InChIKey is JTAZKDKDCPNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c1-8-2-3-9(6-13(8)17(19)20)14(18)11-7-10(16)4-5-12(11)15/h2-7H,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone?
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone has a molecular weight of 293.68 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 177201657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).