N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide

C22H19Cl2N3O2 — CID 54844035

IUPACN-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O2/c23-17-10-18(24)12-20(11-17)27-21(28)14-25-19-8-6-16(7-9-19)22(29)26-13-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,26,29)(H,27,28)
InChIKeyOKEDIESAOWRZOY-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.97
Rot. Bonds7

About N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54844035) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
PubChem CID54844035
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC NameN-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H19Cl2N3O2/c23-17-10-18(24)12-20(11-17)27-21(28)14-25-19-8-6-16(7-9-19)22(29)26-13-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,26,29)(H,27,28)
InChIKeyOKEDIESAOWRZOY-UHFFFAOYSA-N
XLogP4.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide (CID 54844035) is N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is OKEDIESAOWRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c23-17-10-18(24)12-20(11-17)27-21(28)14-25-19-8-6-16(7-9-19)22(29)26-13-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 428.32 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).