N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide

C17H11ClN2O4 — CID 575351

IUPACN-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2cccc(O)c2c1
InChIInChI=1S/C17H11ClN2O4/c18-14-7-6-12(9-15(14)20(23)24)19-17(22)11-5-4-10-2-1-3-16(21)13(10)8-11/h1-9,21H,(H,19,22)
InChIKeyHOIHSXDIQVQPAX-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.36
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide

N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide (PubChem CID 575351) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
PubChem CID575351
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC NameN-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2cccc(O)c2c1
InChIInChI=1S/C17H11ClN2O4/c18-14-7-6-12(9-15(14)20(23)24)19-17(22)11-5-4-10-2-1-3-16(21)13(10)8-11/h1-9,21H,(H,19,22)
InChIKeyHOIHSXDIQVQPAX-UHFFFAOYSA-N
XLogP4.36
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.36
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

4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
N-(4-chloro-3-nitrophenyl)-3-dimethylarsanylbenzamide
CID 87759470
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide (CID 575351) is N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2cccc(O)c2c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide?
The InChIKey is HOIHSXDIQVQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-14-7-6-12(9-15(14)20(23)24)19-17(22)11-5-4-10-2-1-3-16(21)13(10)8-11/h1-9,21H,(H,19,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide?
N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 575351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).