N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide

C15H12BrN3O3 — CID 94847876

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O3/c1-10-6-7-11(8-14(10)19(21)22)15(20)18-17-9-12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyGIWRUDMRRUUCQL-MFOYZWKCSA-N
MW362.18 g/mol
LogP3.43
Rot. Bonds4

About N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide

N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide (PubChem CID 94847876) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
PubChem CID94847876
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O3/c1-10-6-7-11(8-14(10)19(21)22)15(20)18-17-9-12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyGIWRUDMRRUUCQL-MFOYZWKCSA-N
XLogP3.43
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 3317117
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
4-methyl-N-(2-methylpropylideneamino)-3-nitrobenzamide
CID 5112542
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 135716656
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 4064288
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
4-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-nitrobenzamide
CID 840697
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 135683510

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide (CID 94847876) is N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)N/N=C\c2ccccc2Br)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The InChIKey is GIWRUDMRRUUCQL-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-10-6-7-11(8-14(10)19(21)22)15(20)18-17-9-12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide has a molecular weight of 362.18 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 94847876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).