2-chloro-3-nitro-N-phenylmethoxybenzamide

C14H11ClN2O4 — CID 107856439

IUPAC2-chloro-3-nitro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H11ClN2O4/c15-13-11(7-4-8-12(13)17(19)20)14(18)16-21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
InChIKeyBXNOJPGGDDEMMB-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-3-nitro-N-phenylmethoxybenzamide

2-chloro-3-nitro-N-phenylmethoxybenzamide (PubChem CID 107856439) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-3-nitro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-chloro-3-nitro-N-phenylmethoxybenzamide
PubChem CID107856439
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name2-chloro-3-nitro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H11ClN2O4/c15-13-11(7-4-8-12(13)17(19)20)14(18)16-21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
InChIKeyBXNOJPGGDDEMMB-UHFFFAOYSA-N
XLogP3.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.11
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

2-chloro-N-(2-methylpropoxy)-3-nitrobenzamide
CID 114009629
2-chloro-3-nitrobenzoyl bromide
CID 139677086
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-phenylmethoxybenzamide
CID 32581309
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-chloro-N-(3-methylbut-2-enyl)-3-nitrobenzamide
CID 106186457
3-nitro-2-phenylmethoxybenzamide
CID 18551383
2-chloro-N-(3-hydroxypropyl)-3-nitrobenzamide
CID 112576310
benzyl 2-fluoro-3-nitrobenzoate
CID 169449001
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
2-chloro-N-(2-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 104759986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-N-phenylmethoxybenzamide?
The IUPAC name of 2-chloro-3-nitro-N-phenylmethoxybenzamide (CID 107856439) is 2-chloro-3-nitro-N-phenylmethoxybenzamide.
What is the SMILES notation for 2-chloro-3-nitro-N-phenylmethoxybenzamide?
The canonical SMILES for 2-chloro-3-nitro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-3-nitro-N-phenylmethoxybenzamide?
The InChIKey is BXNOJPGGDDEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-13-11(7-4-8-12(13)17(19)20)14(18)16-21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18).
What are the key properties of 2-chloro-3-nitro-N-phenylmethoxybenzamide?
2-chloro-3-nitro-N-phenylmethoxybenzamide has a molecular weight of 306.70 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-N-phenylmethoxybenzamide is sourced from PubChem (CID 107856439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).