N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

C20H21ClFN3O3 — CID 60536696

IUPACN-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccccc1C(=O)N1CCCC(O)C1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C20H21ClFN3O3/c21-13-7-8-16(22)18(10-13)24-19(27)11-23-17-6-2-1-5-15(17)20(28)25-9-3-4-14(26)12-25/h1-2,5-8,10,14,23,26H,3-4,9,11-12H2,(H,24,27)
InChIKeyUJGJNDHDGIYXLQ-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.13
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (PubChem CID 60536696) has the molecular formula C20H21ClFN3O3 and a molecular weight of 405.86 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
PubChem CID60536696
Molecular FormulaC20H21ClFN3O3
Molecular Weight405.86 g/mol
Exact Mass405.13
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccccc1C(=O)N1CCCC(O)C1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C20H21ClFN3O3/c21-13-7-8-16(22)18(10-13)24-19(27)11-23-17-6-2-1-5-15(17)20(28)25-9-3-4-14(26)12-25/h1-2,5-8,10,14,23,26H,3-4,9,11-12H2,(H,24,27)
InChIKeyUJGJNDHDGIYXLQ-UHFFFAOYSA-N
XLogP3.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536776
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (CID 60536696) is N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccccc1C(=O)N1CCCC(O)C1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is UJGJNDHDGIYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O3/c21-13-7-8-16(22)18(10-13)24-19(27)11-23-17-6-2-1-5-15(17)20(28)25-9-3-4-14(26)12-25/h1-2,5-8,10,14,23,26H,3-4,9,11-12H2,(H,24,27).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 405.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 60536696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).