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

C25H24ClN3O4 — CID 4071473

IUPACN-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O4/c1-33-20-13-11-19(12-14-20)28-23(30)15-27-24(31)17-29(16-18-7-3-2-4-8-18)25(32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyHDDGVBWBLIFJDK-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.75
Rot. Bonds9

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

N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4071473) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4071473
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O4/c1-33-20-13-11-19(12-14-20)28-23(30)15-27-24(31)17-29(16-18-7-3-2-4-8-18)25(32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyHDDGVBWBLIFJDK-UHFFFAOYSA-N
XLogP3.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 4071656
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3498631
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4044086
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 5184382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4071473) is N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HDDGVBWBLIFJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-33-20-13-11-19(12-14-20)28-23(30)15-27-24(31)17-29(16-18-7-3-2-4-8-18)25(32)21-9-5-6-10-22(21)26/h2-14H,15-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 465.94 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).