4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide

C16H14BrCl2NO — CID 114300309

IUPAC4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c17-14-7-6-12(9-15(14)19)16(21)20-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,20,21)
InChIKeyMSERBVHOELJHHT-UHFFFAOYSA-N
MW387.10 g/mol
LogP4.68
Rot. Bonds5

About 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide

4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide (PubChem CID 114300309) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
PubChem CID114300309
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c17-14-7-6-12(9-15(14)19)16(21)20-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,20,21)
InChIKeyMSERBVHOELJHHT-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.10
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 114300348
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide
CID 114300401
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide (CID 114300309) is 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide is O=C(NC(CCl)Cc1ccccc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The InChIKey is MSERBVHOELJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c17-14-7-6-12(9-15(14)19)16(21)20-13(10-18)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,20,21).
What are the key properties of 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide has a molecular weight of 387.10 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 114300309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).