2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide

C21H17ClF3NO — CID 163297566

IUPAC2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cl)(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C21H17ClF3NO/c22-20(13-14-21(23,24)25,16-9-2-1-3-10-16)19(27)26-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,26,27)
InChIKeyVPYPVVJIRSBIDW-UHFFFAOYSA-N
MW391.82 g/mol
LogP6.26
Rot. Bonds5

About 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide

2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide (PubChem CID 163297566) has the molecular formula C21H17ClF3NO and a molecular weight of 391.82 g/mol. Its IUPAC name is 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide.

Molecular Properties

Compound Name2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide
PubChem CID163297566
Molecular FormulaC21H17ClF3NO
Molecular Weight391.82 g/mol
Exact Mass391.10
IUPAC Name2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cl)(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C21H17ClF3NO/c22-20(13-14-21(23,24)25,16-9-2-1-3-10-16)19(27)26-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,26,27)
InChIKeyVPYPVVJIRSBIDW-UHFFFAOYSA-N
XLogP6.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.82
LogP ≤ 56.26
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

2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
CID 163297603
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
1-naphthalen-1-yl-3-tritylurea
CID 4029941
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
CID 102506983
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
1-phenyl-3-[(1R)-2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]urea
CID 2302561
2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]acetamide
CID 6610938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide?
The IUPAC name of 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide (CID 163297566) is 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide.
What is the SMILES notation for 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide?
The canonical SMILES for 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide is O=C(Nc1cccc2ccccc12)C(Cl)(CCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide?
The InChIKey is VPYPVVJIRSBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3NO/c22-20(13-14-21(23,24)25,16-9-2-1-3-10-16)19(27)26-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,26,27).
What are the key properties of 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide?
2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide has a molecular weight of 391.82 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide is sourced from PubChem (CID 163297566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).