2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide

C10H7ClN4O3 — CID 60764792

IUPAC2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H7ClN4O3/c11-8-5-6(15(17)18)1-2-7(8)9(16)14-10-12-3-4-13-10/h1-5H,(H2,12,13,14,16)
InChIKeyBTAZKHKEZFBMKD-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide

2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide (PubChem CID 60764792) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
PubChem CID60764792
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H7ClN4O3/c11-8-5-6(15(17)18)1-2-7(8)9(16)14-10-12-3-4-13-10/h1-5H,(H2,12,13,14,16)
InChIKeyBTAZKHKEZFBMKD-UHFFFAOYSA-N
XLogP2.22
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.22
H-Bond Donors ≤ 52
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

2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 43546666
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide (CID 60764792) is 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide is O=C(Nc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide?
The InChIKey is BTAZKHKEZFBMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-8-5-6(15(17)18)1-2-7(8)9(16)14-10-12-3-4-13-10/h1-5H,(H2,12,13,14,16).
What are the key properties of 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide?
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide has a molecular weight of 266.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 60764792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).