N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide

C20H22ClFN2O3 — CID 42360371

IUPACN-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H22ClFN2O3/c1-13-8-11-27-19(13)20(26)24-9-6-14(7-10-24)2-5-18(25)23-15-3-4-17(22)16(21)12-15/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3,(H,23,25)
InChIKeyRIFPZZBAGDWSRI-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.65
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42360371) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID42360371
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H22ClFN2O3/c1-13-8-11-27-19(13)20(26)24-9-6-14(7-10-24)2-5-18(25)23-15-3-4-17(22)16(21)12-15/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3,(H,23,25)
InChIKeyRIFPZZBAGDWSRI-UHFFFAOYSA-N
XLogP4.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
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CID 25451687
N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide
CID 45221518
N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
CID 56856067
N-(3-chloro-4-fluorophenyl)-3-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]propanamide
CID 42473310
N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 75370481
N-(3-chloro-4-fluorophenyl)-3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]propanamide
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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 25447624
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide (CID 42360371) is N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide is Cc1ccoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RIFPZZBAGDWSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13-8-11-27-19(13)20(26)24-9-6-14(7-10-24)2-5-18(25)23-15-3-4-17(22)16(21)12-15/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 392.86 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42360371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).