N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide

C16H14BrN3O3 — CID 6265756

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10-3-4-13(9-15(10)20(22)23)16(21)19-18-11(2)12-5-7-14(17)8-6-12/h3-9H,1-2H3,(H,19,21)/b18-11-
InChIKeyGGAXYKRNFWFJND-WQRHYEAKSA-N
MW376.21 g/mol
LogP3.82
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide (PubChem CID 6265756) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
PubChem CID6265756
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-10-3-4-13(9-15(10)20(22)23)16(21)19-18-11(2)12-5-7-14(17)8-6-12/h3-9H,1-2H3,(H,19,21)/b18-11-
InChIKeyGGAXYKRNFWFJND-WQRHYEAKSA-N
XLogP3.82
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.82
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-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6034623
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
N-(heptan-4-ylideneamino)-4-methyl-3-nitrobenzamide
CID 4097722
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide (CID 6265756) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide is C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide?
The InChIKey is GGAXYKRNFWFJND-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-3-4-13(9-15(10)20(22)23)16(21)19-18-11(2)12-5-7-14(17)8-6-12/h3-9H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide has a molecular weight of 376.21 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 6265756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).