2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide

C29H26ClFN4O3 — CID 171684901

IUPAC2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)Nc1cnn(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H26ClFN4O3/c30-26-11-6-20(16-27(26)31)17-28(36)33-22-18-32-35(19-22)23-12-14-34(15-13-23)29(37)21-7-9-25(10-8-21)38-24-4-2-1-3-5-24/h1-11,16,18-19,23H,12-15,17H2,(H,33,36)
InChIKeyUGPVHWWYBMWXEZ-UHFFFAOYSA-N
MW533.00 g/mol
LogP6.13
Rot. Bonds7

About 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide

2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide (PubChem CID 171684901) has the molecular formula C29H26ClFN4O3 and a molecular weight of 533.00 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide
PubChem CID171684901
Molecular FormulaC29H26ClFN4O3
Molecular Weight533.00 g/mol
Exact Mass532.17
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)Nc1cnn(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H26ClFN4O3/c30-26-11-6-20(16-27(26)31)17-28(36)33-22-18-32-35(19-22)23-12-14-34(15-13-23)29(37)21-7-9-25(10-8-21)38-24-4-2-1-3-5-24/h1-11,16,18-19,23H,12-15,17H2,(H,33,36)
InChIKeyUGPVHWWYBMWXEZ-UHFFFAOYSA-N
XLogP6.13
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.00
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-methoxyphenyl)-N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171683606
N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide
CID 171683987
2-(6-chloro-2-fluoro-3-methoxyphenyl)-N-[1-[1-[5-(4-chlorophenyl)furan-2-carbonyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171683190
1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 171682994
N-[1-[1-[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-[(4-fluorophenyl)methyl]phenyl]acetamide
CID 171683942
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 171682537
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
[4-(3-chloro-4-fluorophenoxy)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 68811316
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide (CID 171684901) is 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide is O=C(Cc1ccc(Cl)c(F)c1)Nc1cnn(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide?
The InChIKey is UGPVHWWYBMWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN4O3/c30-26-11-6-20(16-27(26)31)17-28(36)33-22-18-32-35(19-22)23-12-14-34(15-13-23)29(37)21-7-9-25(10-8-21)38-24-4-2-1-3-5-24/h1-11,16,18-19,23H,12-15,17H2,(H,33,36).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide?
2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide has a molecular weight of 533.00 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 171684901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).