4-(4-chlorophenoxy)-3-nitrobenzamide

C13H9ClN2O4 — CID 2743476

IUPAC4-(4-chlorophenoxy)-3-nitrobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O4/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(15)17)7-11(12)16(18)19/h1-7H,(H2,15,17)
InChIKeyLAISWSJYBIMFCI-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.14
Rot. Bonds4

About 4-(4-chlorophenoxy)-3-nitrobenzamide

4-(4-chlorophenoxy)-3-nitrobenzamide (PubChem CID 2743476) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3-nitrobenzamide
PubChem CID2743476
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name4-(4-chlorophenoxy)-3-nitrobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O4/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(15)17)7-11(12)16(18)19/h1-7H,(H2,15,17)
InChIKeyLAISWSJYBIMFCI-UHFFFAOYSA-N
XLogP3.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
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

Benzamide, 4-methoxy-3-nitro-
CID 82603
(3-Chlorophenyl)(4-methoxy-3-nitrophenyl)methanone
CID 736109
N-(2,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711551
N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711547
3-[(4-Chloro-2-nitrophenoxy)methyl]-4-methoxybenzaldehyde
CID 973675
4-(4-Chloro-2-methylphenoxy)-3-nitrobenzamide
CID 2084491
4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrobenzamide
CID 2125728
[4-(4-Chlorophenoxy)-3-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 2743488
2-Chloro-1-[4-(1-methylethoxy)-3-nitrophenyl]ethanone
CID 118247628
4-(3,4-Dichlorophenoxy)-3-nitrobenzoic acid
CID 514865
1-(3-Nitro-4-phenylmethoxyphenyl)ethanone
CID 11265720
N-(3,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711534

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3-nitrobenzamide?
The IUPAC name of 4-(4-chlorophenoxy)-3-nitrobenzamide (CID 2743476) is 4-(4-chlorophenoxy)-3-nitrobenzamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-3-nitrobenzamide?
The canonical SMILES for 4-(4-chlorophenoxy)-3-nitrobenzamide is NC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-chlorophenoxy)-3-nitrobenzamide?
The InChIKey is LAISWSJYBIMFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(15)17)7-11(12)16(18)19/h1-7H,(H2,15,17).
What are the key properties of 4-(4-chlorophenoxy)-3-nitrobenzamide?
4-(4-chlorophenoxy)-3-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3-nitrobenzamide is sourced from PubChem (CID 2743476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).