2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C24H23F2N3O3 — CID 16610921

IUPAC2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-32-20-10-8-19(9-11-20)29(15-17-5-3-2-4-6-17)16-24(31)27-14-23(30)28-18-7-12-21(25)22(26)13-18/h2-13H,14-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyPPHXTDPQTHFIHK-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.73
Rot. Bonds9

About 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 16610921) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID16610921
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-32-20-10-8-19(9-11-20)29(15-17-5-3-2-4-6-17)16-24(31)27-14-23(30)28-18-7-12-21(25)22(26)13-18/h2-13H,14-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyPPHXTDPQTHFIHK-UHFFFAOYSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8563869
N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
CID 8682019
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16610917
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8845299

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 16610921) is 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is COc1ccc(N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is PPHXTDPQTHFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-32-20-10-8-19(9-11-20)29(15-17-5-3-2-4-6-17)16-24(31)27-14-23(30)28-18-7-12-21(25)22(26)13-18/h2-13H,14-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 439.46 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 16610921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).