4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide

C19H14ClN3O4 — CID 108732452

IUPAC4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C19H14ClN3O4/c20-15-9-8-13(11-17(15)23(26)27)19(25)22(12-14-5-3-4-10-21-14)16-6-1-2-7-18(16)24/h1-11,24H,12H2
InChIKeyGDTVCABTBPKGKI-UHFFFAOYSA-N
MW383.79 g/mol
LogP4.20
Rot. Bonds5

About 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide

4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 108732452) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID108732452
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C19H14ClN3O4/c20-15-9-8-13(11-17(15)23(26)27)19(25)22(12-14-5-3-4-10-21-14)16-6-1-2-7-18(16)24/h1-11,24H,12H2
InChIKeyGDTVCABTBPKGKI-UHFFFAOYSA-N
XLogP4.20
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732482
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
N-(2-hydroxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 108732451
methyl 3-[(4-chloro-3-nitrobenzoyl)-pyridin-2-ylamino]propanoate
CID 3784097
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 108756043
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529
1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanone
CID 43565070
N-[(2-chlorophenyl)methyl]-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 42696840
4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-nitrobenzamide
CID 64519190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 108732452) is 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GDTVCABTBPKGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-15-9-8-13(11-17(15)23(26)27)19(25)22(12-14-5-3-4-10-21-14)16-6-1-2-7-18(16)24/h1-11,24H,12H2.
What are the key properties of 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 383.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 108732452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).