N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide

C15H11BrN2O4 — CID 154119488

IUPACN-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
SMILESO=C(CBr)Nc1c(C(=O)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN2O4/c16-9-13(19)17-14-11(7-4-8-12(14)18(21)22)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,19)
InChIKeyAWUWRFVXDVEZHW-UHFFFAOYSA-N
MW363.17 g/mol
LogP3.16
Rot. Bonds5

About N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide

N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide (PubChem CID 154119488) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
PubChem CID154119488
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC NameN-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
SMILESO=C(CBr)Nc1c(C(=O)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN2O4/c16-9-13(19)17-14-11(7-4-8-12(14)18(21)22)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,19)
InChIKeyAWUWRFVXDVEZHW-UHFFFAOYSA-N
XLogP3.16
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide
CID 154233494
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
3-nitro-2-(3,3,3-trihydroxypropanoylamino)benzoic acid
CID 88792928
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
2-bromo-N-(2-chloro-3-nitrophenyl)acetamide
CID 130506609

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide?
The IUPAC name of N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide (CID 154119488) is N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide.
What is the SMILES notation for N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide?
The canonical SMILES for N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide is O=C(CBr)Nc1c(C(=O)c2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide?
The InChIKey is AWUWRFVXDVEZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c16-9-13(19)17-14-11(7-4-8-12(14)18(21)22)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,19).
What are the key properties of N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide?
N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide has a molecular weight of 363.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide is sourced from PubChem (CID 154119488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).