N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide

C25H24ClN3O3 — CID 158334689

IUPACN-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyGQKYWLYDXSLBJF-QFIPXVFZSA-N
MW449.94 g/mol
LogP3.46
Rot. Bonds8

About N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide

N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 158334689) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID158334689
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyGQKYWLYDXSLBJF-QFIPXVFZSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide (CID 158334689) is N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide is CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is GQKYWLYDXSLBJF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30)/t22-/m0/s1.
What are the key properties of N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 158334689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).