N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C15H10ClN7O3 — CID 42998216

IUPACN-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H10ClN7O3/c16-14-6-5-13(23(25)26)7-11(14)8-17-19-15(24)10-1-3-12(4-2-10)22-9-18-20-21-22/h1-9H,(H,19,24)/b17-8+
InChIKeyUFHVKILXKWZBBR-CAOOACKPSA-N
MW371.74 g/mol
LogP1.99
Rot. Bonds5

About N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 42998216) has the molecular formula C15H10ClN7O3 and a molecular weight of 371.74 g/mol. Its IUPAC name is N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID42998216
Molecular FormulaC15H10ClN7O3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC NameN-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H10ClN7O3/c16-14-6-5-13(23(25)26)7-11(14)8-17-19-15(24)10-1-3-12(4-2-10)22-9-18-20-21-22/h1-9H,(H,19,24)/b17-8+
InChIKeyUFHVKILXKWZBBR-CAOOACKPSA-N
XLogP1.99
TPSA128.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 42998216) is N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is UFHVKILXKWZBBR-CAOOACKPSA-N. The full InChI is InChI=1S/C15H10ClN7O3/c16-14-6-5-13(23(25)26)7-11(14)8-17-19-15(24)10-1-3-12(4-2-10)22-9-18-20-21-22/h1-9H,(H,19,24)/b17-8+.
What are the key properties of N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 371.74 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).