2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide

C32H35ClFN3O2 — CID 10311847

IUPAC2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H35ClFN3O2/c1-22(38)24-5-4-6-25(19-24)23-9-11-26(12-10-23)32(15-17-37(18-16-32)28-7-2-3-8-28)35-21-31(39)36-27-13-14-30(34)29(33)20-27/h4-6,9-14,19-20,28,35H,2-3,7-8,15-18,21H2,1H3,(H,36,39)
InChIKeyRSNPBYAPDCXPCU-UHFFFAOYSA-N
MW548.10 g/mol
LogP6.81
Rot. Bonds8

About 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 10311847) has the molecular formula C32H35ClFN3O2 and a molecular weight of 548.10 g/mol. Its IUPAC name is 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID10311847
Molecular FormulaC32H35ClFN3O2
Molecular Weight548.10 g/mol
Exact Mass547.24
IUPAC Name2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H35ClFN3O2/c1-22(38)24-5-4-6-25(19-24)23-9-11-26(12-10-23)32(15-17-37(18-16-32)28-7-2-3-8-28)35-21-31(39)36-27-13-14-30(34)29(33)20-27/h4-6,9-14,19-20,28,35H,2-3,7-8,15-18,21H2,1H3,(H,36,39)
InChIKeyRSNPBYAPDCXPCU-UHFFFAOYSA-N
XLogP6.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.10
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10218194
2-[[4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 10175007
2-[[4-[4-(3-cyanophenyl)phenyl]-1-(thian-4-yl)piperidin-4-yl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 59107070
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-[[1-cyclopentyl-4-[4-(3-isocyanophenyl)phenyl]piperidin-4-yl]-methylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 20608942
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 10311847) is 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)c1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1.
What is the InChIKey of 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is RSNPBYAPDCXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN3O2/c1-22(38)24-5-4-6-25(19-24)23-9-11-26(12-10-23)32(15-17-37(18-16-32)28-7-2-3-8-28)35-21-31(39)36-27-13-14-30(34)29(33)20-27/h4-6,9-14,19-20,28,35H,2-3,7-8,15-18,21H2,1H3,(H,36,39).
What are the key properties of 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 548.10 g/mol, XLogP of 6.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 10311847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).