2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide

C24H22FN3O2 — CID 55986734

IUPAC2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H22FN3O2/c1-30-23-11-9-22(10-12-23)27-24(29)17-28(16-20-3-2-4-21(25)13-20)15-19-7-5-18(14-26)6-8-19/h2-13H,15-17H2,1H3,(H,27,29)
InChIKeyRQWKPUSKVFQPAD-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.35
Rot. Bonds8

About 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide

2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 55986734) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID55986734
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H22FN3O2/c1-30-23-11-9-22(10-12-23)27-24(29)17-28(16-20-3-2-4-21(25)13-20)15-19-7-5-18(14-26)6-8-19/h2-13H,15-17H2,1H3,(H,27,29)
InChIKeyRQWKPUSKVFQPAD-UHFFFAOYSA-N
XLogP4.35
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 55986354
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
4-[[(3-fluorophenyl)methyl-(2-methylprop-2-enyl)amino]methyl]benzonitrile
CID 56525604
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
4-[[(5-acetyl-2-methoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 55987376
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide (CID 55986734) is 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is RQWKPUSKVFQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-30-23-11-9-22(10-12-23)27-24(29)17-28(16-20-3-2-4-21(25)13-20)15-19-7-5-18(14-26)6-8-19/h2-13H,15-17H2,1H3,(H,27,29).
What are the key properties of 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55986734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).