N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide

C15H11ClN2O4 — CID 163370469

IUPACN-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
SMILESC=Cc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C15H11ClN2O4/c1-2-9-3-6-14(19)11(7-9)15(20)17-13-5-4-10(18(21)22)8-12(13)16/h2-8,19H,1H2,(H,17,20)
InChIKeySJIGUHIPJRLWCN-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.85
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide

N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide (PubChem CID 163370469) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
PubChem CID163370469
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
SMILESC=Cc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C15H11ClN2O4/c1-2-9-3-6-14(19)11(7-9)15(20)17-13-5-4-10(18(21)22)8-12(13)16/h2-8,19H,1H2,(H,17,20)
InChIKeySJIGUHIPJRLWCN-UHFFFAOYSA-N
XLogP3.85
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.85
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

5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
(E)-2-benzamido-3-[3-[(2-chloro-4-nitrophenyl)carbamoyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 10322967
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
CID 58865815
5-chloro-N-[(2S,3S)-4-(2-chloro-4-nitroanilino)-3-methyl-4-oxobutan-2-yl]-2-hydroxybenzamide
CID 166667401
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] prop-2-enoate
CID 14126819

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide (CID 163370469) is N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide is C=Cc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide?
The InChIKey is SJIGUHIPJRLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c1-2-9-3-6-14(19)11(7-9)15(20)17-13-5-4-10(18(21)22)8-12(13)16/h2-8,19H,1H2,(H,17,20).
What are the key properties of N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide?
N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide has a molecular weight of 318.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide is sourced from PubChem (CID 163370469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).