N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide

C24H22Cl2N2O2 — CID 58965366

IUPACN-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-2-16-3-6-18(7-4-16)19-8-10-20(11-9-19)24(30)28-15-23(29)27-14-17-5-12-21(25)22(26)13-17/h3-13H,2,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyVCGZZPTYNHMCKW-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.27
Rot. Bonds7

About N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide

N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide (PubChem CID 58965366) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide
PubChem CID58965366
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC NameN-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-2-16-3-6-18(7-4-16)19-8-10-20(11-9-19)24(30)28-15-23(29)27-14-17-5-12-21(25)22(26)13-17/h3-13H,2,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyVCGZZPTYNHMCKW-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide?
The IUPAC name of N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide (CID 58965366) is N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide?
The canonical SMILES for N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide is CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide?
The InChIKey is VCGZZPTYNHMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-2-16-3-6-18(7-4-16)19-8-10-20(11-9-19)24(30)28-15-23(29)27-14-17-5-12-21(25)22(26)13-17/h3-13H,2,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide?
N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide has a molecular weight of 441.36 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-(4-ethylphenyl)benzamide is sourced from PubChem (CID 58965366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).