2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide

C14H13BrClNO2 — CID 106856236

IUPAC2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
SMILESCC(CCl)(NC(=O)c1ccoc1Br)c1ccccc1
InChIInChI=1S/C14H13BrClNO2/c1-14(9-16,10-5-3-2-4-6-10)17-13(18)11-7-8-19-12(11)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFUZSAVXFFLEASQ-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.93
Rot. Bonds4

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

2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide (PubChem CID 106856236) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
PubChem CID106856236
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
SMILESCC(CCl)(NC(=O)c1ccoc1Br)c1ccccc1
InChIInChI=1S/C14H13BrClNO2/c1-14(9-16,10-5-3-2-4-6-10)17-13(18)11-7-8-19-12(11)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFUZSAVXFFLEASQ-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
CID 106856134
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyrazole-3-carboxamide
CID 105059721
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide (CID 106856236) is 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide is CC(CCl)(NC(=O)c1ccoc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide?
The InChIKey is FUZSAVXFFLEASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-14(9-16,10-5-3-2-4-6-10)17-13(18)11-7-8-19-12(11)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide?
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide has a molecular weight of 342.62 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106856236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).