3-bromo-5-chloro-N-phenylmethoxybenzamide

C14H11BrClNO2 — CID 103826514

IUPAC3-bromo-5-chloro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H11BrClNO2/c15-12-6-11(7-13(16)8-12)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyJTDRSLYBESJQHP-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.96
Rot. Bonds4

About 3-bromo-5-chloro-N-phenylmethoxybenzamide

3-bromo-5-chloro-N-phenylmethoxybenzamide (PubChem CID 103826514) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-phenylmethoxybenzamide
PubChem CID103826514
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name3-bromo-5-chloro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H11BrClNO2/c15-12-6-11(7-13(16)8-12)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyJTDRSLYBESJQHP-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-chloro-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-bromo-N-phenylmethoxybenzamide
CID 41450559
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
CID 110634306
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220288
1-(3-bromo-5-chlorophenyl)-4-phenylbutan-1-one
CID 114019104
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-5-chloro-N-phenylmethoxybenzamide (CID 103826514) is 3-bromo-5-chloro-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-phenylmethoxybenzamide?
The InChIKey is JTDRSLYBESJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-12-6-11(7-13(16)8-12)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-phenylmethoxybenzamide?
3-bromo-5-chloro-N-phenylmethoxybenzamide has a molecular weight of 340.60 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-phenylmethoxybenzamide is sourced from PubChem (CID 103826514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).