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

C16H15BrClNO — CID 114300382

IUPAC3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c17-14-8-4-7-13(10-14)16(20)19-15(11-18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,19,20)
InChIKeyCVNYJOFSVGKQMW-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.03
Rot. Bonds5

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

3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide (PubChem CID 114300382) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
PubChem CID114300382
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c17-14-8-4-7-13(10-14)16(20)19-15(11-18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,19,20)
InChIKeyCVNYJOFSVGKQMW-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.03
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

N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 114300348
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide (CID 114300382) is 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide is O=C(NC(CCl)Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
The InChIKey is CVNYJOFSVGKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-14-8-4-7-13(10-14)16(20)19-15(11-18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,19,20).
What are the key properties of 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide?
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 114300382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).