(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide

C27H23ClFN3O2 — CID 155411049

IUPAC(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide
SMILESO=CN(c1ccc2cc(F)ccc2c1)[C@H](C(=O)NCCCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClFN3O2/c28-23-9-5-20(6-10-23)26(27(34)31-14-2-4-19-3-1-13-30-17-19)32(18-33)25-12-8-21-15-24(29)11-7-22(21)16-25/h1,3,5-13,15-18,26H,2,4,14H2,(H,31,34)/t26-/m0/s1
InChIKeyFZTHJJARTPMTFU-SANMLTNESA-N
MW475.95 g/mol
LogP5.48
Rot. Bonds9

About (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide

(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide (PubChem CID 155411049) has the molecular formula C27H23ClFN3O2 and a molecular weight of 475.95 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide
PubChem CID155411049
Molecular FormulaC27H23ClFN3O2
Molecular Weight475.95 g/mol
Exact Mass475.15
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide
SMILESO=CN(c1ccc2cc(F)ccc2c1)[C@H](C(=O)NCCCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClFN3O2/c28-23-9-5-20(6-10-23)26(27(34)31-14-2-4-19-3-1-13-30-17-19)32(18-33)25-12-8-21-15-24(29)11-7-22(21)16-25/h1,3,5-13,15-18,26H,2,4,14H2,(H,31,34)/t26-/m0/s1
InChIKeyFZTHJJARTPMTFU-SANMLTNESA-N
XLogP5.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide
CID 158236548
N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
CID 50958616
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 91775402
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 156906950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide (CID 155411049) is (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide is O=CN(c1ccc2cc(F)ccc2c1)[C@H](C(=O)NCCCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide?
The InChIKey is FZTHJJARTPMTFU-SANMLTNESA-N. The full InChI is InChI=1S/C27H23ClFN3O2/c28-23-9-5-20(6-10-23)26(27(34)31-14-2-4-19-3-1-13-30-17-19)32(18-33)25-12-8-21-15-24(29)11-7-22(21)16-25/h1,3,5-13,15-18,26H,2,4,14H2,(H,31,34)/t26-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide?
(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide has a molecular weight of 475.95 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 155411049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).