N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide

C15H12BrN3O3 — CID 3598154

IUPACN-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H12BrN3O3/c1-10(20)18-13-5-3-12(4-6-13)17-9-11-2-7-14(16)15(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9+
InChIKeyUWZLBAANEDNLHW-RQZCQDPDSA-N
MW362.18 g/mol
LogP4.07
Rot. Bonds4

About N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide

N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide (PubChem CID 3598154) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
PubChem CID3598154
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC NameN-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H12BrN3O3/c1-10(20)18-13-5-3-12(4-6-13)17-9-11-2-7-14(16)15(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9+
InChIKeyUWZLBAANEDNLHW-RQZCQDPDSA-N
XLogP4.07
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 ≤ 54.07
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

1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
(E)-3-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]prop-2-enoic acid
CID 1381191
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
acetic acid;2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]guanidine
CID 87175667
2-[(4-bromo-3-nitrophenyl)methylideneamino]-5-methylphenol
CID 691052
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
(E)-3-(4-bromo-3-nitrophenyl)prop-2-enoyl chloride
CID 91687058
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 7373616
N-[(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 1364490
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 5342520

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide (CID 3598154) is N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide?
The InChIKey is UWZLBAANEDNLHW-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-10(20)18-13-5-3-12(4-6-13)17-9-11-2-7-14(16)15(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide?
N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide has a molecular weight of 362.18 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 3598154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).