3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide

C16H13ClN2O4 — CID 173461837

IUPAC3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide
SMILESCC=Cc1cc(C(=O)Nc2ccccc2)c(O)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C16H13ClN2O4/c1-2-6-10-9-12(15(20)13(17)14(10)19(22)23)16(21)18-11-7-4-3-5-8-11/h2-9,20H,1H3,(H,18,21)
InChIKeyZXVUECPOFSRSRG-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.24
Rot. Bonds4

About 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide

3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide (PubChem CID 173461837) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide
PubChem CID173461837
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide
SMILESCC=Cc1cc(C(=O)Nc2ccccc2)c(O)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C16H13ClN2O4/c1-2-6-10-9-12(15(20)13(17)14(10)19(22)23)16(21)18-11-7-4-3-5-8-11/h2-9,20H,1H3,(H,18,21)
InChIKeyZXVUECPOFSRSRG-UHFFFAOYSA-N
XLogP4.24
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.24
H-Bond Donors ≤ 52
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

N-butyl-3-chloro-2-hydroxy-4-nitro-5-prop-1-enylbenzamide
CID 173461903
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
2,3-dinitro-N-phenylbenzamide
CID 18931494
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
CID 7038591
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
CID 174856646
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide?
The IUPAC name of 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide (CID 173461837) is 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide?
The canonical SMILES for 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide is CC=Cc1cc(C(=O)Nc2ccccc2)c(O)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide?
The InChIKey is ZXVUECPOFSRSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-2-6-10-9-12(15(20)13(17)14(10)19(22)23)16(21)18-11-7-4-3-5-8-11/h2-9,20H,1H3,(H,18,21).
What are the key properties of 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide?
3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide has a molecular weight of 332.74 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide is sourced from PubChem (CID 173461837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).