2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

C15H13BrN2O4 — CID 100698766

IUPAC2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O4/c1-22-14-6-5-12(18(20)21)9-13(14)17-15(19)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyFDGQFWOYCUKXCG-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 100698766) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID100698766
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O4/c1-22-14-6-5-12(18(20)21)9-13(14)17-15(19)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyFDGQFWOYCUKXCG-UHFFFAOYSA-N
XLogP3.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(3-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108898973
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103894337
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 33478730
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 2495314
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 100698766) is 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is FDGQFWOYCUKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-22-14-6-5-12(18(20)21)9-13(14)17-15(19)8-10-3-2-4-11(16)7-10/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 365.18 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 100698766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).