N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide

C23H22ClN3O3 — CID 54843765

IUPACN-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-30-21-12-11-19(13-20(21)24)27-22(28)15-25-18-9-7-17(8-10-18)23(29)26-14-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyOOLVTSASWKYZER-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.33
Rot. Bonds8

About N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54843765) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID54843765
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-30-21-12-11-19(13-20(21)24)27-22(28)15-25-18-9-7-17(8-10-18)23(29)26-14-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyOOLVTSASWKYZER-UHFFFAOYSA-N
XLogP4.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide (CID 54843765) is N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is OOLVTSASWKYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-30-21-12-11-19(13-20(21)24)27-22(28)15-25-18-9-7-17(8-10-18)23(29)26-14-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 423.90 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).