2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

C15H14BrN3O4 — CID 7535590

IUPAC2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O4/c1-23-14-7-6-12(19(21)22)8-13(14)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyJWBCVUCBBKGLHV-UHFFFAOYSA-N
MW380.20 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 7535590) has the molecular formula C15H14BrN3O4 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID7535590
Molecular FormulaC15H14BrN3O4
Molecular Weight380.20 g/mol
Exact Mass379.02
IUPAC Name2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O4/c1-23-14-7-6-12(19(21)22)8-13(14)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyJWBCVUCBBKGLHV-UHFFFAOYSA-N
XLogP3.42
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 7535590) is 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is JWBCVUCBBKGLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4/c1-23-14-7-6-12(19(21)22)8-13(14)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 380.20 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 7535590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).