2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide

C15H13BrN2O4 — CID 91054611

IUPAC2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide
SMILESNC(=O)Cc1c(OCc2ccccc2)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c16-11-6-13(18(20)21)12(8-15(17)19)14(7-11)22-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,17,19)
InChIKeyZOTYSCMROQQTOH-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide

2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide (PubChem CID 91054611) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide
PubChem CID91054611
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide
SMILESNC(=O)Cc1c(OCc2ccccc2)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c16-11-6-13(18(20)21)12(8-15(17)19)14(7-11)22-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,17,19)
InChIKeyZOTYSCMROQQTOH-UHFFFAOYSA-N
XLogP2.96
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.96
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

4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
4-bromo-2-[(4-fluorophenyl)methoxy]-6-nitroaniline
CID 69499298
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
2-(4-nitro-3-phenylmethoxyphenyl)acetyl chloride
CID 54561819
benzyl 4-(4-bromo-2-nitrophenyl)-2-oxobutanoate
CID 18370756
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
N'-(4-bromo-2-nitro-5-phenylmethoxyphenyl)-2-chloroethanimidamide
CID 169366129
3-[(3-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 60711490
2-(2,3-difluoro-6-phenylmethoxyphenyl)acetamide
CID 91259658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide (CID 91054611) is 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide is NC(=O)Cc1c(OCc2ccccc2)cc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide?
The InChIKey is ZOTYSCMROQQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c16-11-6-13(18(20)21)12(8-15(17)19)14(7-11)22-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,17,19).
What are the key properties of 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide?
2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide has a molecular weight of 365.18 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitro-6-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 91054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).