N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

C20H21ClFN5O2 — CID 650938

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H21ClFN5O2/c1-29-19-5-2-13(21)10-17(19)23-20(28)12-26-8-6-15(7-9-26)27-18-4-3-14(22)11-16(18)24-25-27/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,28)
InChIKeyFDWUFEOTUJQSFX-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.51
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 650938) has the molecular formula C20H21ClFN5O2 and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID650938
Molecular FormulaC20H21ClFN5O2
Molecular Weight417.87 g/mol
Exact Mass417.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H21ClFN5O2/c1-29-19-5-2-13(21)10-17(19)23-20(28)12-26-8-6-15(7-9-26)27-18-4-3-14(22)11-16(18)24-25-27/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,28)
InChIKeyFDWUFEOTUJQSFX-UHFFFAOYSA-N
XLogP3.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-(5-chloro-2-methoxy-phenyl)-acetamide
CID 650080
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 653943
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652680
N-(1H-benzotriazol-1-ylmethyl)-5-chloro-2-methoxyaniline
CID 677594
N-(5-chloro-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469656
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469848
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469851
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469852
N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469853
N-(2-ethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469854
N-(2,5-diethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 3219963
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 3229064

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 650938) is N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is FDWUFEOTUJQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O2/c1-29-19-5-2-13(21)10-17(19)23-20(28)12-26-8-6-15(7-9-26)27-18-4-3-14(22)11-16(18)24-25-27/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 650938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).