2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide

C24H22Cl2N2O2 — CID 100600751

IUPAC2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16(17-8-3-2-4-9-17)27-24(30)19-10-5-6-13-22(19)28-23(29)15-14-18-20(25)11-7-12-21(18)26/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)/t16-/m0/s1
InChIKeyLDUNKACYPQIULB-INIZCTEOSA-N
MW441.36 g/mol
LogP6.06
Rot. Bonds7

About 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide

2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 100600751) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID100600751
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16(17-8-3-2-4-9-17)27-24(30)19-10-5-6-13-22(19)28-23(29)15-14-18-20(25)11-7-12-21(18)26/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)/t16-/m0/s1
InChIKeyLDUNKACYPQIULB-INIZCTEOSA-N
XLogP6.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100595887
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide (CID 100600751) is 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is LDUNKACYPQIULB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16(17-8-3-2-4-9-17)27-24(30)19-10-5-6-13-22(19)28-23(29)15-14-18-20(25)11-7-12-21(18)26/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)/t16-/m0/s1.
What are the key properties of 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 441.36 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 100600751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).