[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate

C22H18ClNO3 — CID 7709575

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c1-15(21(25)24-20-13-11-19(23)12-14-20)27-22(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,24,25)/t15-/m1/s1
InChIKeyRABGVFPFMUDXFD-OAHLLOKOSA-N
MW379.84 g/mol
LogP5.19
Rot. Bonds5

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate (PubChem CID 7709575) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
PubChem CID7709575
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c1-15(21(25)24-20-13-11-19(23)12-14-20)27-22(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,24,25)/t15-/m1/s1
InChIKeyRABGVFPFMUDXFD-OAHLLOKOSA-N
XLogP5.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709757
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629142
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275030
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 97066649
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
CID 55404159
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133499
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate (CID 7709575) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate is C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The InChIKey is RABGVFPFMUDXFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-15(21(25)24-20-13-11-19(23)12-14-20)27-22(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate has a molecular weight of 379.84 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate is sourced from PubChem (CID 7709575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).