2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide

C24H23ClFN3O2 — CID 4661824

IUPAC2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)C(Cl)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23ClFN3O2/c1-17-7-11-20(12-8-17)28-24(31)29(21-13-9-19(26)10-14-21)16-15-27-23(30)22(25)18-5-3-2-4-6-18/h2-14,22H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyDVZPDYVGWACMMS-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.27
Rot. Bonds7

About 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide

2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide (PubChem CID 4661824) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
PubChem CID4661824
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC Name2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)C(Cl)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23ClFN3O2/c1-17-7-11-20(12-8-17)28-24(31)29(21-13-9-19(26)10-14-21)16-15-27-23(30)22(25)18-5-3-2-4-6-18/h2-14,22H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyDVZPDYVGWACMMS-UHFFFAOYSA-N
XLogP5.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.27
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-[2-[N-[(4-ethoxyphenyl)carbamoyl]-4-fluoroanilino]ethyl]-2-phenylacetamide
CID 42707148
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide (CID 4661824) is 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide is Cc1ccc(NC(=O)N(CCNC(=O)C(Cl)c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The InChIKey is DVZPDYVGWACMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-17-7-11-20(12-8-17)28-24(31)29(21-13-9-19(26)10-14-21)16-15-27-23(30)22(25)18-5-3-2-4-6-18/h2-14,22H,15-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide has a molecular weight of 439.92 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 4661824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).