[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate

C24H22ClNO3 — CID 7795375

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClNO3/c1-17-12-13-20(25)14-22(17)26-23(27)16-29-24(28)15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,26,27)
InChIKeyNNEITNACZPUVOP-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.35
Rot. Bonds7

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 7795375) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID7795375
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClNO3/c1-17-12-13-20(25)14-22(17)26-23(27)16-29-24(28)15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,26,27)
InChIKeyNNEITNACZPUVOP-UHFFFAOYSA-N
XLogP5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658226
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 2364961
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624004
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555273

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 7795375) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate is Cc1ccc(Cl)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is NNEITNACZPUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-17-12-13-20(25)14-22(17)26-23(27)16-29-24(28)15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,26,27).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 407.90 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 7795375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).