N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide

C25H26ClN3O2 — CID 2101756

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
SMILESCN(C)[C@H](CNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O2/c1-29(2)23(18-9-5-3-6-10-18)16-27-17-24(30)28-22-14-13-20(26)15-21(22)25(31)19-11-7-4-8-12-19/h3-15,23,27H,16-17H2,1-2H3,(H,28,30)/t23-/m1/s1
InChIKeyGSQZRPDEKIOTCR-HSZRJFAPSA-N
MW435.96 g/mol
LogP4.40
Rot. Bonds9

About N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide (PubChem CID 2101756) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
PubChem CID2101756
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
SMILESCN(C)[C@H](CNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O2/c1-29(2)23(18-9-5-3-6-10-18)16-27-17-24(30)28-22-14-13-20(26)15-21(22)25(31)19-11-7-4-8-12-19/h3-15,23,27H,16-17H2,1-2H3,(H,28,30)/t23-/m1/s1
InChIKeyGSQZRPDEKIOTCR-HSZRJFAPSA-N
XLogP4.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
N-(2-benzoyl-4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2110361
N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2108162
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5155089
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide (CID 2101756) is N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide is CN(C)[C@H](CNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The InChIKey is GSQZRPDEKIOTCR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-29(2)23(18-9-5-3-6-10-18)16-27-17-24(30)28-22-14-13-20(26)15-21(22)25(31)19-11-7-4-8-12-19/h3-15,23,27H,16-17H2,1-2H3,(H,28,30)/t23-/m1/s1.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide has a molecular weight of 435.96 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide is sourced from PubChem (CID 2101756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).