5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide

C15H12ClN3O6 — CID 150145724

IUPAC5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O6/c16-12-7-11(13(18(22)23)8-14(12)19(24)25)15(21)17-10-3-1-9(2-4-10)5-6-20/h1-4,7-8,20H,5-6H2,(H,17,21)
InChIKeyFEFFMOQGRBRFRO-UHFFFAOYSA-N
MW365.73 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide

5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide (PubChem CID 150145724) has the molecular formula C15H12ClN3O6 and a molecular weight of 365.73 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide
PubChem CID150145724
Molecular FormulaC15H12ClN3O6
Molecular Weight365.73 g/mol
Exact Mass365.04
IUPAC Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O6/c16-12-7-11(13(18(22)23)8-14(12)19(24)25)15(21)17-10-3-1-9(2-4-10)5-6-20/h1-4,7-8,20H,5-6H2,(H,17,21)
InChIKeyFEFFMOQGRBRFRO-UHFFFAOYSA-N
XLogP2.94
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
CID 103771882
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 61221256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide?
The IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide (CID 150145724) is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide.
What is the SMILES notation for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide?
The canonical SMILES for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide is O=C(Nc1ccc(CCO)cc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide?
The InChIKey is FEFFMOQGRBRFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O6/c16-12-7-11(13(18(22)23)8-14(12)19(24)25)15(21)17-10-3-1-9(2-4-10)5-6-20/h1-4,7-8,20H,5-6H2,(H,17,21).
What are the key properties of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide?
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide has a molecular weight of 365.73 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide is sourced from PubChem (CID 150145724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).