2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide

C10H8ClN5O3 — CID 107200538

IUPAC2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H8ClN5O3/c11-7-4-5(16(18)19)3-6(8(7)12)9(17)15-10-13-1-2-14-10/h1-4H,12H2,(H2,13,14,15,17)
InChIKeyVWNRCUGSUZCVQB-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide

2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide (PubChem CID 107200538) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
PubChem CID107200538
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H8ClN5O3/c11-7-4-5(16(18)19)3-6(8(7)12)9(17)15-10-13-1-2-14-10/h1-4H,12H2,(H2,13,14,15,17)
InChIKeyVWNRCUGSUZCVQB-UHFFFAOYSA-N
XLogP1.81
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
CID 107200117
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
CID 114195920
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
2-amino-3-chloro-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107200611
2-amino-3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
CID 107200383

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide (CID 107200538) is 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide?
The InChIKey is VWNRCUGSUZCVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-7-4-5(16(18)19)3-6(8(7)12)9(17)15-10-13-1-2-14-10/h1-4H,12H2,(H2,13,14,15,17).
What are the key properties of 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide?
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide has a molecular weight of 281.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 107200538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).