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

C16H14Cl2FNO — CID 114300401

IUPAC3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H14Cl2FNO/c17-10-12(9-11-5-2-1-3-6-11)20-16(21)13-7-4-8-14(18)15(13)19/h1-8,12H,9-10H2,(H,20,21)
InChIKeyWWEZHDTWBRTKAX-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.06
Rot. Bonds5

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

3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide (PubChem CID 114300401) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide
PubChem CID114300401
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H14Cl2FNO/c17-10-12(9-11-5-2-1-3-6-11)20-16(21)13-7-4-8-14(18)15(13)19/h1-8,12H,9-10H2,(H,20,21)
InChIKeyWWEZHDTWBRTKAX-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.06
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-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide (CID 114300401) is 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide is O=C(NC(CCl)Cc1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide?
The InChIKey is WWEZHDTWBRTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-10-12(9-11-5-2-1-3-6-11)20-16(21)13-7-4-8-14(18)15(13)19/h1-8,12H,9-10H2,(H,20,21).
What are the key properties of 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide?
3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide has a molecular weight of 326.20 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 114300401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).