3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide

C11H7ClN4O3 — CID 79829756

IUPAC3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H7ClN4O3/c12-8-4-1-3-7(9(8)16(18)19)10(17)15-11-13-5-2-6-14-11/h1-6H,(H,13,14,15,17)
InChIKeyYFBZLVAYKOFXMG-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide

3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide (PubChem CID 79829756) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
PubChem CID79829756
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H7ClN4O3/c12-8-4-1-3-7(9(8)16(18)19)10(17)15-11-13-5-2-6-14-11/h1-6H,(H,13,14,15,17)
InChIKeyYFBZLVAYKOFXMG-UHFFFAOYSA-N
XLogP2.29
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.29
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

3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
CID 75425611
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
3-chloro-N-(2-methylpropyl)-2-nitrobenzamide
CID 79821508
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
3-chloro-N-(1-methylcyclopropyl)-2-nitrobenzamide
CID 115681576
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide (CID 79829756) is 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide?
The InChIKey is YFBZLVAYKOFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-8-4-1-3-7(9(8)16(18)19)10(17)15-11-13-5-2-6-14-11/h1-6H,(H,13,14,15,17).
What are the key properties of 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide?
3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide has a molecular weight of 278.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 79829756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).