2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide

C19H14BrN3O4 — CID 4633369

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14BrN3O4/c20-19-16-4-2-1-3-14(16)7-10-17(19)27-12-18(24)22-21-11-13-5-8-15(9-6-13)23(25)26/h1-11H,12H2,(H,22,24)
InChIKeyOACNXKOZGSPHSG-UHFFFAOYSA-N
MW428.24 g/mol
LogP4.04
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 4633369) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID4633369
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14BrN3O4/c20-19-16-4-2-1-3-14(16)7-10-17(19)27-12-18(24)22-21-11-13-5-8-15(9-6-13)23(25)26/h1-11H,12H2,(H,22,24)
InChIKeyOACNXKOZGSPHSG-UHFFFAOYSA-N
XLogP4.04
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 54.04
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-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 19165090
[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5109291
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 19189602
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 4633369) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is OACNXKOZGSPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c20-19-16-4-2-1-3-14(16)7-10-17(19)27-12-18(24)22-21-11-13-5-8-15(9-6-13)23(25)26/h1-11H,12H2,(H,22,24).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 428.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4633369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).