4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C19H14ClN3O3 — CID 1366188

IUPAC4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O3/c20-17-6-3-15(12-18(17)23(25)26)19(24)22-16-4-1-13(2-5-16)11-14-7-9-21-10-8-14/h1-10,12H,11H2,(H,22,24)
InChIKeyTZCJCJPQSBXXEG-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.49
Rot. Bonds5

About 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 1366188) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID1366188
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O3/c20-17-6-3-15(12-18(17)23(25)26)19(24)22-16-4-1-13(2-5-16)11-14-7-9-21-10-8-14/h1-10,12H,11H2,(H,22,24)
InChIKeyTZCJCJPQSBXXEG-UHFFFAOYSA-N
XLogP4.49
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
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-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
4-chloro-3-nitro-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873229
4-methoxy-3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1422346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 1366188) is 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is TZCJCJPQSBXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-17-6-3-15(12-18(17)23(25)26)19(24)22-16-4-1-13(2-5-16)11-14-7-9-21-10-8-14/h1-10,12H,11H2,(H,22,24).
What are the key properties of 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 367.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 1366188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).