2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

C26H28FN3O — CID 60537251

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H28FN3O/c27-22-11-9-21(10-12-22)26(20-7-3-1-4-8-20)28-19-25(31)29-23-13-15-24(16-14-23)30-17-5-2-6-18-30/h1,3-4,7-16,26,28H,2,5-6,17-19H2,(H,29,31)
InChIKeyFVHBYINKLPVZSR-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.13
Rot. Bonds7

About 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 60537251) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID60537251
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H28FN3O/c27-22-11-9-21(10-12-22)26(20-7-3-1-4-8-20)28-19-25(31)29-23-13-15-24(16-14-23)30-17-5-2-6-18-30/h1,3-4,7-16,26,28H,2,5-6,17-19H2,(H,29,31)
InChIKeyFVHBYINKLPVZSR-UHFFFAOYSA-N
XLogP5.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9297150
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 33072186
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 60537251) is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is FVHBYINKLPVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-22-11-9-21(10-12-22)26(20-7-3-1-4-8-20)28-19-25(31)29-23-13-15-24(16-14-23)30-17-5-2-6-18-30/h1,3-4,7-16,26,28H,2,5-6,17-19H2,(H,29,31).
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 60537251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).