2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide

C14H10Cl2N2O4 — CID 17404036

IUPAC2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-11-3-1-2-10(13(11)16)14(20)17-7-8-6-9(18(21)22)4-5-12(8)19/h1-6,19H,7H2,(H,17,20)
InChIKeyMZZVPHWESXKIEE-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.54
Rot. Bonds4

About 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide

2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide (PubChem CID 17404036) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
PubChem CID17404036
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-11-3-1-2-10(13(11)16)14(20)17-7-8-6-9(18(21)22)4-5-12(8)19/h1-6,19H,7H2,(H,17,20)
InChIKeyMZZVPHWESXKIEE-UHFFFAOYSA-N
XLogP3.54
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2,5-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]thiophene-3-carboxamide
CID 17415401
2-[(2-chloroanilino)methyl]-4-nitrophenol
CID 142621653
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111448946
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 24686061
N-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46430192

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide (CID 17404036) is 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide is O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide?
The InChIKey is MZZVPHWESXKIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-11-3-1-2-10(13(11)16)14(20)17-7-8-6-9(18(21)22)4-5-12(8)19/h1-6,19H,7H2,(H,17,20).
What are the key properties of 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide?
2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide has a molecular weight of 341.15 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 17404036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).