2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide

C28H31ClN2O2 — CID 42657080

IUPAC2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(Cl)c1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31ClN2O2/c1-20(2)26(31-27(32)25(29)23-16-10-5-11-17-23)28(33)30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26H,18-19H2,1-2H3,(H,30,33)(H,31,32)
InChIKeySFFGOHDZUODGBT-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.45
Rot. Bonds10

About 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide

2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide (PubChem CID 42657080) has the molecular formula C28H31ClN2O2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
PubChem CID42657080
Molecular FormulaC28H31ClN2O2
Molecular Weight463.02 g/mol
Exact Mass462.21
IUPAC Name2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(Cl)c1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31ClN2O2/c1-20(2)26(31-27(32)25(29)23-16-10-5-11-17-23)28(33)30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26H,18-19H2,1-2H3,(H,30,33)(H,31,32)
InChIKeySFFGOHDZUODGBT-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
N-[(2R)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 2104226
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 42703936
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide?
The IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide (CID 42657080) is 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide is CC(C)C(NC(=O)C(Cl)c1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide?
The InChIKey is SFFGOHDZUODGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2/c1-20(2)26(31-27(32)25(29)23-16-10-5-11-17-23)28(33)30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26H,18-19H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide?
2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide has a molecular weight of 463.02 g/mol, XLogP of 5.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide is sourced from PubChem (CID 42657080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).