(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone

C11H6ClNO4 — CID 18967626

IUPAC(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6ClNO4/c12-9-6-7(13(15)16)3-4-8(9)11(14)10-2-1-5-17-10/h1-6H
InChIKeyWXAQVDGXRVRXCI-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.07
Rot. Bonds3

About (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone

(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone (PubChem CID 18967626) has the molecular formula C11H6ClNO4 and a molecular weight of 251.63 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
PubChem CID18967626
Molecular FormulaC11H6ClNO4
Molecular Weight251.63 g/mol
Exact Mass251.00
IUPAC Name(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6ClNO4/c12-9-6-7(13(15)16)3-4-8(9)11(14)10-2-1-5-17-10/h1-6H
InChIKeyWXAQVDGXRVRXCI-UHFFFAOYSA-N
XLogP3.07
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-3-(2-chloro-5-nitrophenyl)-1-(furan-2-yl)prop-2-en-1-one
CID 6187791
2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
CID 60626106
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
2-chloro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-nitrobenzamide
CID 90605057
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone?
The IUPAC name of (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone (CID 18967626) is (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone?
The canonical SMILES for (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone is O=C(c1ccco1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone?
The InChIKey is WXAQVDGXRVRXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4/c12-9-6-7(13(15)16)3-4-8(9)11(14)10-2-1-5-17-10/h1-6H.
What are the key properties of (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone?
(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone has a molecular weight of 251.63 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 18967626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).