5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide

C20H24ClN3O2 — CID 1063339

IUPAC5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-14(21)19(25)23-16-9-10-18(24(2)3)17(13-16)20(26)22-12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyVGCLZCDTGRJPEY-AWEZNQCLSA-N
MW373.88 g/mol
LogP3.29
Rot. Bonds7

About 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide

5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide (PubChem CID 1063339) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
PubChem CID1063339
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-14(21)19(25)23-16-9-10-18(24(2)3)17(13-16)20(26)22-12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyVGCLZCDTGRJPEY-AWEZNQCLSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 42756324
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide (CID 1063339) is 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide is C[C@H](Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is VGCLZCDTGRJPEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14(21)19(25)23-16-9-10-18(24(2)3)17(13-16)20(26)22-12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1.
What are the key properties of 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide?
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1063339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).