N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide

C23H21ClFN3O2 — CID 139527369

IUPACN-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccnc3ccccc23)CC1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C23H21ClFN3O2/c24-19-6-5-16(14-20(19)25)27-22(29)13-15-8-11-28(12-9-15)23(30)18-7-10-26-21-4-2-1-3-17(18)21/h1-7,10,14-15H,8-9,11-13H2,(H,27,29)
InChIKeyINBCROIQBXJHMK-UHFFFAOYSA-N
MW425.89 g/mol
LogP4.91
Rot. Bonds4

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

N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 139527369) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID139527369
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccnc3ccccc23)CC1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C23H21ClFN3O2/c24-19-6-5-16(14-20(19)25)27-22(29)13-15-8-11-28(12-9-15)23(30)18-7-10-26-21-4-2-1-3-17(18)21/h1-7,10,14-15H,8-9,11-13H2,(H,27,29)
InChIKeyINBCROIQBXJHMK-UHFFFAOYSA-N
XLogP4.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-(4-chloro-3-fluorophenyl)-2-cyclohexylacetamide;1,3-thiazole
CID 145078223
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
2-[1-[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 120515452
N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 146986934
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
CID 145078404
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[1-(quinoline-4-carbonyl)piperidin-4-yl]methyl]phenyl]urea
CID 68824632
2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 23936819
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide (CID 139527369) is N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide is O=C(CC1CCN(C(=O)c2ccnc3ccccc23)CC1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is INBCROIQBXJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c24-19-6-5-16(14-20(19)25)27-22(29)13-15-8-11-28(12-9-15)23(30)18-7-10-26-21-4-2-1-3-17(18)21/h1-7,10,14-15H,8-9,11-13H2,(H,27,29).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide?
N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 425.89 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 139527369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).