2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide

C10H11BrN2O3 — CID 63681423

IUPAC2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CBr
InChIInChI=1S/C10H11BrN2O3/c1-12(10(14)6-11)7-8-3-2-4-9(5-8)13(15)16/h2-5H,6-7H2,1H3
InChIKeyKRVURDIHUXXPAV-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.95
Rot. Bonds4

About 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide

2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide (PubChem CID 63681423) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
PubChem CID63681423
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CBr
InChIInChI=1S/C10H11BrN2O3/c1-12(10(14)6-11)7-8-3-2-4-9(5-8)13(15)16/h2-5H,6-7H2,1H3
InChIKeyKRVURDIHUXXPAV-UHFFFAOYSA-N
XLogP1.95
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431
N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
CID 60944375
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 115648822
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
N-[4-[methyl-[(3-nitrophenyl)methyl]amino]-4-oxobutyl]benzamide
CID 46404872
4-bromo-N,1-dimethyl-N-[(3-nitrophenyl)methyl]pyrrole-2-carboxamide
CID 60955589
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide (CID 63681423) is 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CBr.
What is the InChIKey of 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide?
The InChIKey is KRVURDIHUXXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-12(10(14)6-11)7-8-3-2-4-9(5-8)13(15)16/h2-5H,6-7H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide?
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide has a molecular weight of 287.11 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 63681423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).