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

C16H14BrClFNO — CID 107994349

IUPACN-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
SMILESCC(CBr)(NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14BrClFNO/c1-16(10-17,12-5-3-2-4-6-12)20-15(21)11-7-8-13(18)14(19)9-11/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMARBQPPCNDRJOH-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.52
Rot. Bonds4

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

N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide (PubChem CID 107994349) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
PubChem CID107994349
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
SMILESCC(CBr)(NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14BrClFNO/c1-16(10-17,12-5-3-2-4-6-12)20-15(21)11-7-8-13(18)14(19)9-11/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMARBQPPCNDRJOH-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.52
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-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-3-fluorobenzamide
CID 107994092
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060193
N-(1-bromo-2-phenylpropan-2-yl)-2-chloro-4-methylbenzamide
CID 106864081
N-(3-bromo-2-methylbutan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994285
N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
3-[(4-chloro-3-fluorobenzoyl)amino]-3-ethylpentanoic acid
CID 120532577
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide (CID 107994349) is N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide is CC(CBr)(NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide?
The InChIKey is MARBQPPCNDRJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-16(10-17,12-5-3-2-4-6-12)20-15(21)11-7-8-13(18)14(19)9-11/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide?
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide has a molecular weight of 370.65 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 107994349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).