4-bromo-N-phenylmethoxybenzamide

C14H12BrNO2 — CID 41450559

IUPAC4-bromo-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyMQJLBFUTXICIQN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-N-phenylmethoxybenzamide

4-bromo-N-phenylmethoxybenzamide (PubChem CID 41450559) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-phenylmethoxybenzamide
PubChem CID41450559
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name4-bromo-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyMQJLBFUTXICIQN-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-phenylmethoxybenzamide 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

4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
benzyl 4-bromobenzoate
CID 603177
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylmethoxybenzamide?
The IUPAC name of 4-bromo-N-phenylmethoxybenzamide (CID 41450559) is 4-bromo-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-bromo-N-phenylmethoxybenzamide?
The canonical SMILES for 4-bromo-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-phenylmethoxybenzamide?
The InChIKey is MQJLBFUTXICIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of 4-bromo-N-phenylmethoxybenzamide?
4-bromo-N-phenylmethoxybenzamide has a molecular weight of 306.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenylmethoxybenzamide is sourced from PubChem (CID 41450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).