4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide

C16H15BrClNO2 — CID 105059796

IUPAC4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(CCl)(NC(=O)c1ccc(Br)cc1O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-16(10-18,11-5-3-2-4-6-11)19-15(21)13-8-7-12(17)9-14(13)20/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyREPBPRNFNUEGHE-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide

4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide (PubChem CID 105059796) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
PubChem CID105059796
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(CCl)(NC(=O)c1ccc(Br)cc1O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-16(10-18,11-5-3-2-4-6-11)19-15(21)13-8-7-12(17)9-14(13)20/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyREPBPRNFNUEGHE-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide 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-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060193
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
N-(1-bromo-2-phenylpropan-2-yl)-2-chloro-4-methylbenzamide
CID 106864081
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide (CID 105059796) is 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide is CC(CCl)(NC(=O)c1ccc(Br)cc1O)c1ccccc1.
What is the InChIKey of 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide?
The InChIKey is REPBPRNFNUEGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-16(10-18,11-5-3-2-4-6-11)19-15(21)13-8-7-12(17)9-14(13)20/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide?
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 105059796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).