2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide

C16H15BrN4O3 — CID 9016525

IUPAC2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15BrN4O3/c1-20(2)14-8-7-11(9-15(14)21(23)24)10-18-19-16(22)12-5-3-4-6-13(12)17/h3-10H,1-2H3,(H,19,22)/b18-10-
InChIKeyNQEFFNFCMBGVTE-ZDLGFXPLSA-N
MW391.23 g/mol
LogP3.19
Rot. Bonds5

About 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide

2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (PubChem CID 9016525) has the molecular formula C16H15BrN4O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
PubChem CID9016525
Molecular FormulaC16H15BrN4O3
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15BrN4O3/c1-20(2)14-8-7-11(9-15(14)21(23)24)10-18-19-16(22)12-5-3-4-6-13(12)17/h3-10H,1-2H3,(H,19,22)/b18-10-
InChIKeyNQEFFNFCMBGVTE-ZDLGFXPLSA-N
XLogP3.19
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9261042
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9259568
2-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3915558
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
CID 19060941
2-bromo-N-[1-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4544102
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate
CID 7369614
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6229195
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (CID 9016525) is 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N\NC(=O)c2ccccc2Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The InChIKey is NQEFFNFCMBGVTE-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN4O3/c1-20(2)14-8-7-11(9-15(14)21(23)24)10-18-19-16(22)12-5-3-4-6-13(12)17/h3-10H,1-2H3,(H,19,22)/b18-10-.
What are the key properties of 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide has a molecular weight of 391.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is sourced from PubChem (CID 9016525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).