(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone

C13H7ClFNO3 — CID 18314505

IUPAC(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C13H7ClFNO3/c14-10-7-11(15)12(16(18)19)6-9(10)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyNYNVAMBIKQFXBP-UHFFFAOYSA-N
MW279.65 g/mol
LogP3.62
Rot. Bonds3

About (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone

(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone (PubChem CID 18314505) has the molecular formula C13H7ClFNO3 and a molecular weight of 279.65 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone
PubChem CID18314505
Molecular FormulaC13H7ClFNO3
Molecular Weight279.65 g/mol
Exact Mass279.01
IUPAC Name(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C13H7ClFNO3/c14-10-7-11(15)12(16(18)19)6-9(10)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyNYNVAMBIKQFXBP-UHFFFAOYSA-N
XLogP3.62
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 53.62
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

(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
CID 163843120
2-chloro-4-fluoro-5-nitrobenzoyl iodide
CID 167464714
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone?
The IUPAC name of (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone (CID 18314505) is (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone?
The canonical SMILES for (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone?
The InChIKey is NYNVAMBIKQFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO3/c14-10-7-11(15)12(16(18)19)6-9(10)13(17)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone?
(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone has a molecular weight of 279.65 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 18314505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).