4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide

C14H11ClN2O4 — CID 107679552

IUPAC4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(CCl)cc1
InChIInChI=1S/C14H11ClN2O4/c15-8-9-4-6-10(7-5-9)14(19)16-13-11(17(20)21)2-1-3-12(13)18/h1-7,18H,8H2,(H,16,19)
InChIKeyZYFOGIQUDNCTDO-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.29
Rot. Bonds4

About 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide

4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide (PubChem CID 107679552) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
PubChem CID107679552
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(CCl)cc1
InChIInChI=1S/C14H11ClN2O4/c15-8-9-4-6-10(7-5-9)14(19)16-13-11(17(20)21)2-1-3-12(13)18/h1-7,18H,8H2,(H,16,19)
InChIKeyZYFOGIQUDNCTDO-UHFFFAOYSA-N
XLogP3.29
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 43346653
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide (CID 107679552) is 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide?
The InChIKey is ZYFOGIQUDNCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-8-9-4-6-10(7-5-9)14(19)16-13-11(17(20)21)2-1-3-12(13)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide?
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide has a molecular weight of 306.71 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide is sourced from PubChem (CID 107679552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).